#DEFINITION Reference Metabolome for Spinacia oleracea #IDENTTFIER RefMeta-Spinacia oleracea.R1 #FORMAT msr #VERSION 1.0/R1 #KEYWORDS RefMeta #ORGANISM Spinacia oleracea #CREATION 31-MAY-2024 #PUBLICATION CropMetabolome: a comprehensive metabolome database for major crops cross eight categories #JOURNAL The Plant Journal #AUTHORS Shi H, Wu X, Zhu Y, Chen P, Xu X, and Li X. #COMMENT Reference metabolome for Spinacia oleracea was generated from multi-tissue LC-MS/MS data with redundance removed BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 623.2492 Annotation 4'-Deoxykanokoside C Peak:m/z Relative Intensity 211.1164246 0.28 213.9905701 0.08 219.2184143 0.07 224.4263916 0.13 235.9245300 0.27 254.9981995 0.48 255.8989716 0.12 263.1793213 0.19 269.3181152 0.16 271.0158081 0.13 283.2653809 0.18 291.4683838 0.19 303.3049927 0.08 313.5513916 0.29 314.3953247 0.47 316.3103027 0.31 329.5851135 0.18 330.8565674 0.15 342.5260620 0.17 348.2341919 0.13 349.4043579 0.06 355.2384033 0.09 367.2006226 0.45 370.9556885 0.34 395.5713501 0.39 407.1275024 0.06 408.1500854 0.17 414.6416016 0.16 430.0199585 0.18 444.2867432 0.06 453.3604126 0.25 464.3990479 0.26 465.7835693 0.20 467.5430908 0.12 473.5191650 0.36 479.6434937 0.22 481.3579102 0.09 489.3708496 1.00 490.3897095 0.54 491.3319092 1.11 492.5883179 0.37 503.3593140 3.37 504.2464600 1.59 505.0791016 0.46 506.5048828 0.55 507.2947998 0.24 508.4904175 0.18 514.6492310 0.07 515.4176636 0.17 517.2153931 1.26 517.8432007 0.03 519.3607788 4.33 520.4873047 1.74 522.2175903 1.17 523.1312256 0.25 525.2738647 0.24 533.4022217 0.27 534.3097534 0.33 541.4960938 0.23 545.3653564 2.59 546.3388672 0.59 549.5718384 0.16 550.3440552 0.88 551.4583740 0.71 561.2942505 0.34 563.3171997 100.00 564.3158569 21.25 564.9910278 0.23 567.6657715 0.52 573.7686768 0.56 577.4488525 1.82 578.4400635 1.35 579.3784180 27.48 580.4037476 7.82 581.6784058 0.66 582.6362915 0.20 588.3433228 0.33 590.0945435 1.40 591.4077759 2.80 592.3103638 2.82 593.7797241 0.74 595.1807251 4.52 596.2797241 1.39 605.3137207 7.24 606.3993530 4.27 608.4295044 0.10 625.0265503 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 728.27 Annotation Unknow Peak:m/z Relative Intensity 235.1534424 0.09 255.7689667 0.28 261.7633362 0.20 263.2966614 0.05 264.6914978 0.21 271.3045349 0.07 278.0808105 0.10 279.1411133 0.25 283.1810913 0.18 285.0049133 0.27 286.3934631 0.04 287.4758911 0.34 290.3146362 0.22 291.2121887 0.05 295.2402649 0.16 304.6204834 0.05 309.4527588 0.11 311.2850342 0.38 313.1263428 0.11 315.1835327 0.11 319.5437012 0.19 327.6010437 0.24 329.8802490 0.55 331.3952637 0.11 338.0254517 0.16 339.2520752 0.77 341.4344177 0.17 344.0376282 0.12 345.1561279 2.99 346.2443542 0.42 359.2837524 0.40 366.9495239 0.15 369.1663818 0.23 378.0194092 0.05 383.1078491 0.64 393.2211304 0.22 397.0190430 0.11 401.1127930 0.55 410.1459961 1.86 411.2474365 2.54 414.8612671 0.07 415.5270386 0.06 425.3143311 0.10 438.3038940 0.19 442.1849976 3.49 443.2241821 1.81 444.2151489 0.70 450.5553589 0.15 455.1605835 0.71 456.3146362 0.07 457.5007324 0.08 458.2664185 0.13 469.5085449 0.28 470.2044678 0.09 473.0842896 0.14 475.0897217 0.67 476.2638550 3.29 488.3506470 0.39 495.2772217 0.22 500.2435913 0.18 509.2219238 0.25 513.4389038 0.08 517.3715820 0.21 533.2926025 0.04 537.3507080 0.05 547.5287476 0.15 548.4259644 0.13 549.5100708 0.17 552.0632935 0.21 562.3551025 0.40 563.4924927 0.20 582.3854370 0.22 583.5319824 0.06 591.2874146 0.81 592.6392822 0.19 593.3547974 0.13 596.5449219 0.07 599.8092651 0.32 605.5036011 0.51 606.3735962 1.08 608.7131348 0.23 609.6206665 0.42 610.6622925 0.03 611.5197144 0.09 622.4194946 0.10 623.2566528 2.27 624.2485352 2.22 625.1949463 0.42 630.8327026 0.63 637.2239380 0.13 641.3268433 1.17 642.2231445 1.76 645.0596924 0.35 652.3682861 1.24 653.6053467 0.10 655.1657715 0.15 663.4499512 0.10 665.2470093 0.37 665.8828735 0.05 666.5612183 0.34 668.8911743 0.26 669.7627563 0.07 671.5714722 0.77 675.7663574 0.33 677.5460205 0.55 681.1542358 0.15 683.3735962 6.23 684.3936157 6.10 690.5891113 0.16 692.6038818 0.35 695.1406860 18.42 696.3098145 100.00 698.5852051 0.10 702.4566040 0.17 707.4307861 0.46 709.2988892 2.21 710.3580933 2.82 711.5287476 0.58 713.0610962 0.98 713.9643555 0.11 728.1962891 0.49 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1143.4873 Annotation Unknow Peak:m/z Relative Intensity 324.8876038 0.27 439.4580078 0.34 440.4548340 0.36 480.9517822 0.13 502.3550110 0.58 551.2788086 0.08 579.4913330 0.37 585.8652344 0.05 627.3748779 0.10 642.2895508 0.10 675.6875610 0.12 689.3891602 0.26 731.4946289 0.29 773.4418945 0.25 791.4722290 0.22 821.6510010 0.17 829.4846191 0.10 835.6195068 3.15 836.5047607 0.90 926.5303955 0.29 950.4874268 0.55 967.4542236 1.24 968.4564209 0.98 993.7199707 0.17 995.6571045 0.19 1011.3697510 100.00 1012.3819580 28.52 1013.2597660 0.90 1014.7687990 0.15 1015.4620360 0.05 1023.2666020 0.35 1038.2802730 0.12 1039.5109860 0.85 1055.5521240 0.05 1057.1212160 0.14 1067.4190670 8.11 1068.5310060 4.43 1069.2172850 0.10 1081.2546390 0.70 1082.3198240 1.00 1099.6474610 0.44 1125.4497070 4.71 1126.4981690 2.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 500.9195 Annotation Unknow Peak:m/z Relative Intensity 159.0407715 2.20 171.2759094 0.02 199.0330200 0.78 217.0670776 0.18 229.0599670 0.52 272.9734802 47.35 385.1362000 0.37 386.9552917 100.00 410.1948547 0.02 411.0187378 0.05 426.1277466 0.08 427.1504822 0.16 454.0901794 0.05 454.9927673 0.15 456.8256531 0.05 471.0561829 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 454.2918 Annotation PE(16:0/0:0) Peak:m/z Relative Intensity 132.8333435 0.05 149.1067963 0.24 150.1853027 0.26 157.1477966 0.10 159.0917969 0.17 164.9373169 0.12 171.0040283 0.07 175.1590881 0.03 185.1184692 0.04 195.1997375 0.16 197.9700928 0.53 215.9900055 0.18 233.3375092 0.07 234.4686737 0.09 235.1317749 0.15 237.0844421 0.15 238.2620697 0.05 239.1901398 0.37 263.1103516 0.05 277.2413940 0.09 280.9555359 0.18 282.3613281 0.58 284.4730530 0.15 289.2120667 0.09 291.5609741 0.16 309.3324585 0.24 311.3552856 0.11 313.2730408 61.89 314.8712769 0.18 326.9933777 0.33 332.4419861 0.11 337.9307861 0.24 348.3334656 0.17 358.9318848 0.17 362.0421753 0.14 364.2912292 0.17 367.2088013 0.08 380.6782532 0.17 387.0832825 0.05 391.3862915 0.06 393.2382202 4.49 394.4599915 0.15 398.2848511 0.59 401.3254089 0.56 408.1194458 0.13 410.6314697 0.63 419.0207214 0.39 422.4661255 0.09 423.1416626 0.08 436.1813660 100.00 437.3374939 0.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 448.1873 Annotation Unknow Peak:m/z Relative Intensity 136.0817261 3.50 136.8551331 0.12 154.0122681 0.05 163.8777466 0.17 167.0607605 0.16 167.9509125 0.23 168.9212036 0.06 174.6910095 0.10 193.1381836 0.16 193.8529358 0.04 211.7866211 0.19 221.1662445 0.36 222.1780243 0.25 236.0635986 0.18 241.1499634 0.07 252.0970459 0.18 253.1592102 3.53 254.1933594 0.97 255.3911133 0.59 256.2460632 0.11 266.3370972 0.11 268.1483765 0.22 279.0643311 0.11 286.2887573 0.15 287.1640930 0.02 288.7501221 0.06 289.6785889 0.10 294.9755859 0.05 299.0852661 0.37 302.8434753 0.05 308.0057678 0.37 308.6613159 0.13 310.1409302 1.51 313.3849487 0.19 314.2054443 0.35 316.1357117 0.10 318.1644287 0.09 319.0690613 0.11 321.9655151 0.19 325.0560913 0.17 327.3014526 0.03 330.2127075 0.15 331.2595825 0.21 334.2003174 0.12 345.3562622 0.10 358.1607361 0.65 359.3619385 0.33 366.9685974 0.56 370.5148621 0.25 372.0524597 0.16 373.5276794 0.08 380.8904724 1.13 381.6586609 0.58 385.0743103 0.32 389.6143494 15.82 390.3105469 8.47 391.1764526 0.57 392.8036194 0.14 393.8347473 0.11 395.0491943 2.62 395.8565369 0.19 403.8277893 100.00 404.8701172 1.97 405.9784546 1.60 406.7095642 0.21 407.3458557 0.36 408.3505554 0.36 409.9899292 0.24 411.7965393 0.09 413.2384338 0.15 415.3414612 0.11 424.0117493 0.69 424.6219177 0.05 429.5964661 0.03 430.5064392 1.33 431.3045959 1.20 432.4427795 3.61 434.3059387 0.09 437.1221924 0.28 439.3975525 17.87 440.2828064 0.12 450.3153381 0.02 453.5144348 0.11 472.4642944 0.74 473.4746704 0.13 481.2561646 0.14 482.1210022 0.12 484.0582581 0.27 494.4152527 0.15 506.8062134 0.46 524.0757446 0.45 525.5365601 0.33 529.5328369 1.27 530.3809204 0.05 533.4287720 0.31 538.1365356 0.56 539.4296875 0.05 541.6392822 0.12 551.3545532 0.22 557.8821411 0.05 568.2918091 1.96 569.2706299 0.66 586.4446411 2.75 587.2780151 0.74 607.4439087 0.09 614.9094849 0.16 616.3833618 0.06 625.3059692 1.72 626.3867798 1.04 633.5360718 0.07 643.3218994 21.83 644.3430786 6.18 661.1171265 0.40 701.1636353 0.25 704.6351929 0.33 740.4793701 0.08 783.4786987 0.25 788.2332764 0.05 806.3527832 47.38 807.3536987 15.37 808.1779175 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1037.3149 Annotation Unknow Peak:m/z Relative Intensity 293.2823792 0.04 315.0264282 0.04 316.2451782 0.48 327.4111938 0.06 330.3397217 0.44 331.2044983 1.48 341.4546814 0.07 358.2357788 0.02 367.1589050 0.06 373.2930298 0.21 375.6343384 0.03 415.3577271 0.01 427.2628479 0.17 429.2182312 0.08 447.3285217 0.03 455.1896362 0.04 462.2667542 0.02 481.3144531 0.03 493.3323975 0.02 505.2252197 0.17 521.1979370 0.04 529.1901245 0.02 530.9870605 0.03 537.2991943 0.03 547.5728149 0.01 557.5366211 0.04 573.2851562 0.12 581.1636963 0.02 593.3483887 0.02 601.2756348 0.02 619.3012695 0.06 621.0563965 0.04 625.4841309 0.23 635.7774048 0.03 637.3190918 0.23 655.2318115 1.59 655.8432007 0.03 677.4194946 0.06 679.0892944 0.03 687.4852905 0.01 699.3262939 0.05 705.5125122 0.63 723.2553711 0.10 728.6788330 0.04 750.4764404 0.03 769.3482666 2.37 770.4499512 0.02 772.1785889 0.09 773.3212891 0.05 787.2712402 100.00 787.9223633 0.10 809.4451904 0.02 829.2808838 0.09 843.4301758 0.06 856.4246826 0.02 857.6499023 0.05 858.7016602 0.08 859.5761719 0.06 861.3703613 0.08 875.4169922 0.08 887.3387451 0.34 895.4514160 0.42 897.5529785 0.06 905.3107910 4.97 917.3388672 0.08 927.5651855 0.08 934.6146240 0.06 935.7819824 0.02 942.8128662 0.05 944.6109619 0.18 949.3184814 0.06 957.2674561 0.05 975.3330078 0.72 977.3273926 3.55 992.7172852 0.07 993.4720459 0.04 1001.2949220 0.18 1001.9188230 0.01 1004.5407710 0.05 1005.4279790 0.02 1018.6953120 0.32 1019.3847660 4.44 1022.3302000 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1388.5579 Annotation Unknow Peak:m/z Relative Intensity 935.3751221 0.04 997.5639648 0.33 998.6885986 0.01 1081.4160160 0.05 1155.5393070 0.04 1173.4970700 100.00 1174.4241940 0.09 1194.0007320 0.03 1195.5722660 0.02 1201.6228030 0.02 1210.2791750 0.04 1225.6744380 0.04 1228.6149900 0.02 1244.3913570 0.05 1268.6286620 0.05 1284.4211430 0.05 1292.2202150 0.01 1298.0417480 0.04 1301.1292720 0.03 1310.5855710 0.09 1344.3961180 1.50 1345.2005620 0.04 1354.7155760 0.02 1370.5339360 0.11 1371.7543950 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 285.0615 Annotation Uralenneoside Peak:m/z Relative Intensity 90.9519577 0.03 93.0451584 0.19 93.9746552 0.03 106.9807663 0.09 108.0286102 3.06 109.0019989 6.90 110.0661087 0.45 117.1553955 0.02 119.3171005 0.04 120.2655792 0.05 120.9632950 0.63 122.0769424 0.03 123.0352173 0.61 124.0695267 0.07 130.1674805 0.04 131.0873871 0.03 133.0953979 0.40 134.0263977 0.04 135.1384430 0.46 136.0960388 0.18 137.1196289 0.07 144.9365540 0.05 146.1845856 0.08 147.0822754 0.02 149.2053528 0.05 151.1498413 3.72 152.0738525 25.44 152.9622650 100.00 154.0116272 12.07 161.2042084 0.07 163.0812683 3.74 164.0304565 0.48 164.9522400 4.54 166.0607605 0.87 167.0413513 0.11 170.0992889 0.05 174.9125824 0.19 176.0863190 0.04 176.9763794 0.36 177.9741974 0.10 179.0562439 1.03 179.9613953 0.38 181.0121155 1.40 182.1659241 0.15 183.1372223 0.14 184.1850739 0.05 187.0446777 0.15 189.0575562 0.05 190.1974030 0.01 191.1164246 0.03 193.0522766 0.31 194.2113647 0.12 195.1121826 1.15 196.0493469 0.24 204.0707703 0.05 205.0943909 0.28 207.0732727 1.46 208.1530151 0.11 214.4118347 0.03 219.1000366 0.24 220.1990662 0.06 221.3361206 0.03 223.0723267 0.09 224.9909058 2.65 225.9646912 0.37 231.0668335 0.03 237.0591736 0.13 238.1810608 0.06 238.9032898 0.04 241.1387939 0.71 241.9891663 0.17 244.0551453 0.01 248.9322815 0.06 250.0828247 0.06 251.1437988 0.03 255.2987671 0.02 257.1397705 0.02 267.1911621 0.41 268.1268921 0.16 269.3228760 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0714 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 109.1455078 1.27 112.7801056 5.42 121.262146 1.51 160.9284515 3.79 164.0700989 3.38 174.2153778 1.64 178.1429291 2.36 179.0371704 5.81 180.9755402 1.74 183.0291901 2.27 191.0370636 2.06 193.2174072 1.95 195.3387451 4.00 202.8829651 5.49 206.0305328 10.80 207.0190735 24.94 209.1429443 19.40 210.0406952 3.99 212.72435 3.81 215.02034 24.43 221.1242371 2.46 222.0348969 30.04 223.2193298 14.94 232.9631348 17.00 235.9267578 4.41 251.0650787 100.00 252.1185303 11.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 380.84 Annotation Unknow Peak:m/z Relative Intensity 128.9560242 4.64 164.0813293 0.13 181.2709503 0.29 212.9120331 8.82 225.2175598 0.36 264.2683105 0.12 268.2436218 2.93 270.2174377 2.68 278.8618774 0.54 296.0612793 23.62 296.7667236 100.00 297.6074829 0.40 312.1014404 0.26 318.1710815 0.53 324.6711731 0.38 334.2085266 0.71 339.1516724 0.23 344.4491272 0.52 352.0060730 0.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 665.1141 Annotation Unknow Peak:m/z Relative Intensity 187.0423279 0.02 198.3822784 0.03 229.2428284 0.08 240.1326599 0.05 241.2184296 0.02 243.0923462 0.09 255.3088684 0.07 256.2975464 0.12 257.0910950 0.02 259.0251465 0.03 260.2876587 0.02 263.0551758 0.02 269.3045959 0.02 271.1899414 0.17 272.3646545 0.04 283.1303711 0.54 284.1313171 0.11 295.2483521 0.04 299.1213074 0.39 300.1177673 0.08 303.1700439 0.07 305.1383057 0.04 321.2564697 1.55 322.2495117 0.18 325.2390137 0.02 328.1432495 12.90 329.2145691 2.11 337.2749329 0.10 339.2759399 0.05 341.2960815 0.22 343.1250000 100.00 344.1757202 17.54 355.2281494 0.03 357.3543091 0.03 369.3773804 0.01 371.2683716 0.02 383.0299072 0.05 385.2263184 0.43 386.0911255 0.01 395.1575317 0.45 396.3667603 0.12 397.3490601 0.02 407.2494507 0.01 409.2373047 0.20 410.3195801 0.06 413.0704956 0.03 415.1065674 0.04 421.1662598 0.18 422.3324585 0.02 425.2425537 0.73 426.2658081 0.10 436.9489746 0.04 439.2993164 1.48 440.2655029 0.22 457.1863403 12.33 458.2819824 2.26 465.2274780 0.03 468.2593384 0.08 475.2000732 0.02 483.0830688 0.19 484.0391846 0.08 485.0721436 0.03 489.1989136 0.15 489.9768677 0.06 492.7645264 0.07 501.1096802 60.47 502.1330566 15.39 502.7600098 0.03 503.6154785 0.02 519.0915527 49.17 520.1051636 11.30 520.7568970 0.02 546.4582520 0.05 568.5217896 0.01 575.5913696 0.03 590.6889038 0.03 605.1254272 0.05 617.7030640 0.03 619.9172974 0.09 623.8545532 0.01 630.3439941 0.11 633.3317261 0.04 636.3466187 0.04 646.8093872 0.03 648.3722534 0.04 652.4723511 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 188.07 Annotation Deethylatrazine Peak:m/z Relative Intensity 97.8307343 0.04 117.9169159 0.18 132.4526672 0.01 142.0896149 0.53 143.9659576 9.29 145.9610138 100.00 160.0446472 0.48 169.9912872 2.76 170.9670563 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 760.4588 Annotation Unknow Peak:m/z Relative Intensity 220.9550018 0.21 222.1234741 0.04 232.2492065 0.19 236.6220703 0.03 239.3036652 0.89 243.1104736 0.06 250.6997986 0.05 256.5410156 0.15 264.1082458 0.17 265.0870972 0.17 269.0509949 0.07 283.3074341 0.73 284.3233643 0.05 286.9700317 0.18 299.0123901 0.07 300.0916748 0.27 309.1994629 0.06 309.9818726 0.21 315.8076172 0.13 316.4472351 0.14 326.2611694 0.07 327.2174988 0.15 328.4957275 0.04 329.6547241 0.12 331.1588135 0.27 338.0593567 0.31 340.3144531 0.02 342.6587524 0.17 344.1727600 0.59 347.3079224 0.05 348.9772339 0.06 351.2224731 0.10 353.3461914 0.19 355.0262451 0.20 357.4396667 0.16 360.0121155 0.32 361.8875122 0.20 368.4461670 0.23 371.3333130 0.55 372.3583374 0.27 375.2420654 0.40 382.2333374 0.15 388.0958252 0.49 390.6314697 0.14 397.3236694 0.27 399.3483887 0.09 401.1790161 0.11 402.1240845 0.05 402.9924316 0.53 404.3563232 0.20 405.7789307 0.12 411.0855103 0.05 412.9481201 0.10 415.2758789 0.37 416.7114258 0.15 418.6884155 0.10 419.3969727 0.10 420.3905640 0.06 422.2510376 0.12 426.2990723 0.14 431.0064087 0.03 432.3748169 0.47 435.1116333 0.19 440.7803955 0.03 448.1812744 0.62 454.8191528 0.20 455.9511108 0.04 456.8045044 0.06 457.9868774 0.07 459.4577026 0.19 461.1638184 0.12 462.1871948 0.05 465.0311279 0.10 468.8691406 0.26 469.8336792 0.14 476.1835327 0.03 477.4044189 0.09 479.0488281 0.67 482.1920166 0.06 490.7620239 0.13 493.0086060 0.20 495.1801147 0.17 497.0202637 0.14 500.5807495 0.61 504.1513672 0.24 505.3972168 0.06 506.4016113 0.09 507.4195557 0.06 513.8539429 0.36 520.4036255 0.30 522.4844971 0.26 523.2857666 0.52 536.1463623 0.68 536.8756714 0.03 538.8762817 0.08 541.8256836 0.10 543.5273438 0.06 544.9066772 0.87 545.5949097 0.03 547.2907104 0.18 548.7729492 0.09 549.4921875 0.07 551.1826172 0.09 553.5039673 0.09 557.3688354 0.08 558.1502686 0.62 561.3106689 0.02 564.3631592 0.37 565.2642212 0.05 565.8660278 0.42 566.8690796 1.36 580.2881470 0.95 581.4039307 0.28 584.3908081 0.14 585.6917725 0.16 588.0570679 0.79 588.9824829 1.28 591.6386108 0.19 595.3826904 0.43 600.8231812 0.04 602.3617554 0.62 606.3043213 0.05 607.0723267 0.12 608.3261719 0.08 609.5884399 0.06 610.9218750 2.59 611.5628662 0.25 613.4434204 0.08 620.0383911 0.08 624.4324951 1.07 625.4512939 0.03 632.0811157 0.18 632.9998779 3.19 639.3957520 0.39 641.8353882 0.13 642.5589600 0.12 644.2734985 0.03 646.2292480 0.37 647.1428833 0.20 650.0828857 0.04 654.9191284 4.66 657.8471069 0.12 658.7247925 0.06 664.0307007 0.18 669.0381470 0.06 675.6945190 0.14 676.7809448 2.22 677.6320190 0.98 683.1869507 0.06 686.0090332 0.28 686.6279907 0.19 690.2133789 0.47 690.9017334 0.17 692.5911255 0.12 696.6859131 0.10 699.0663452 7.05 700.1047974 0.28 707.9659424 2.41 708.5724487 2.44 711.9891357 1.02 713.0518188 0.12 717.5281372 0.22 721.1441040 2.70 722.0028687 0.94 725.5379028 0.07 726.3232422 0.21 727.5009155 0.28 729.9910278 5.98 730.7628784 0.16 732.3676147 0.07 734.2452393 0.74 735.0574341 0.18 736.4165039 0.13 737.3770142 0.14 740.1571655 0.03 743.4346313 100.00 744.6561890 0.35 745.3198242 0.06 746.3809814 0.19 760.6449585 0.18 780.0667114 0.09 781.6171265 0.07 789.0797729 0.13 805.4038696 0.19 815.4119263 0.03 824.2754517 0.05 833.2363281 0.12 842.3568726 0.24 848.9570923 0.28 852.5169678 0.04 867.9528198 0.36 877.4983521 0.09 891.8359985 3.39 892.4393921 0.13 894.6941528 0.11 900.6818237 0.16 906.6318359 0.22 912.4674683 0.08 938.8378906 0.19 939.5127563 0.11 940.8195801 0.06 956.3767090 0.08 983.7111816 0.04 986.2002563 0.68 986.8086548 0.37 1001.6372680 0.03 1003.0820920 0.11 1018.7043460 0.15 1027.2530520 0.38 1044.3143310 0.08 1054.4920650 0.07 1063.0839840 0.29 1071.7094730 0.20 1086.7716060 0.04 1088.6149900 0.38 1089.4023440 0.40 1090.7352290 0.04 1098.5079350 0.23 1106.6303710 0.28 1108.0732420 0.04 1115.4750980 0.16 1116.2639160 0.45 1130.7504880 0.05 1133.0382080 0.41 1133.9039310 0.44 1134.9246830 0.03 1150.4244380 0.84 1151.5800780 0.87 1158.6030270 0.06 1159.7009280 0.08 1160.3309330 0.06 1176.6815190 0.08 1177.4187010 0.24 1178.7902830 0.06 1194.5500490 1.33 1195.6262210 0.07 1203.6057130 0.31 1204.5604250 0.06 1210.3752440 0.05 1219.3975830 0.06 1221.3242190 0.92 1222.6083980 0.24 1238.5819090 1.97 1239.4744870 0.78 1248.7008060 0.08 1250.4851070 0.17 1264.9592290 0.66 1265.7525630 0.94 1266.5866700 0.30 1282.5833740 1.62 1283.7158200 0.24 1292.6224370 0.03 1308.9114990 0.45 1309.6724850 0.27 1310.3476560 0.05 1326.6547850 0.88 1327.6256100 0.69 1353.4497070 0.45 1370.5814210 0.47 1371.7810060 0.23 1458.4864500 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 637.2795 Annotation Unknow Peak:m/z Relative Intensity 211.2473450 0.04 222.9210205 0.08 259.1302795 0.03 273.1776733 1.76 313.4848022 0.09 324.1568604 0.13 403.4397583 1.03 404.4183350 18.52 405.2141113 0.04 439.6932373 0.04 468.1719971 0.07 476.3073730 0.02 489.4335327 0.10 501.4727173 0.29 511.4222412 0.26 518.3784790 0.07 519.1680908 0.25 524.3203125 0.22 531.2826538 0.41 532.0151978 0.09 534.2505493 0.37 541.1748657 1.39 541.9020996 0.18 546.4120483 0.07 547.7342529 0.13 550.3278198 3.65 551.3964844 0.15 559.4125366 0.25 560.9892578 0.05 571.3143311 0.29 571.9271240 0.09 572.6890869 0.05 576.5516968 0.48 585.2544556 0.10 598.3097534 0.08 607.3450317 7.07 608.0104370 0.27 609.6370239 0.05 616.2901001 100.00 616.9727173 0.76 617.8389893 0.46 619.3843994 0.09 807.5747681 0.10 808.9518433 0.82 809.6525269 3.34 845.7004395 0.17 846.4803467 0.30 849.6108398 0.05 850.9536743 0.07 863.5896606 0.07 905.3644409 0.07 935.3579712 0.19 936.2622681 0.24 937.4167480 1.84 955.4411011 0.75 1021.4830930 0.05 1038.5168460 0.25 1051.8117680 0.03 1065.6334230 0.11 1067.5993650 0.22 1083.0458980 0.54 1083.7563480 0.46 1107.5650630 0.29 1123.9190670 0.17 1125.4770510 0.56 1213.5836180 0.17 1215.5375980 7.97 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1025.4253 Annotation Unknow Peak:m/z Relative Intensity 393.4766235 0.07 462.8664551 0.10 485.3587036 0.41 523.1635742 0.12 577.4733887 0.44 599.6688232 1.11 611.4294434 0.37 613.5694580 0.13 617.3104248 0.42 631.2496338 0.14 640.3541260 0.29 641.4911499 0.24 657.4301758 2.49 675.4515381 0.11 747.5746460 0.49 748.2673340 0.06 749.7674561 0.17 759.2446289 0.11 777.4983521 0.75 792.5052490 0.05 811.9616699 0.09 823.5942383 0.12 843.7342529 0.07 847.7041016 1.22 861.4593506 12.11 862.1134033 0.26 865.4680176 59.12 866.0963135 0.41 877.5533447 0.07 879.4055176 0.28 887.1691895 0.38 904.9333496 1.18 905.6015625 9.08 921.4577637 1.39 923.4484863 25.60 924.1132812 0.15 934.8239746 0.04 937.4118652 0.10 938.4133301 0.04 944.5914307 0.13 945.5416260 0.20 953.4223633 0.84 963.6062012 0.58 965.5646973 1.24 966.2443848 1.71 981.5017090 100.00 993.3966064 0.10 1007.5146480 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1366.1 Annotation Unknow Peak:m/z Relative Intensity 409.6892395 0.04 419.3715515 0.08 425.2177734 0.08 439.4511719 0.49 455.6507568 0.13 483.5332642 0.04 501.5349731 1.92 543.4413452 0.58 555.3501587 0.20 569.7482300 0.05 593.8986206 0.09 629.3442383 0.07 633.6253662 0.07 779.6228638 0.21 809.5785522 0.45 863.6667480 0.03 895.4991455 0.07 907.4218750 0.19 925.5034180 1.89 995.1146240 0.20 1057.6254880 100.00 1058.7033690 0.50 1099.4837650 0.11 1197.5583500 0.22 1233.4200440 0.23 1235.6962890 0.07 1244.5732420 0.20 1275.5162350 0.09 1287.4243160 0.36 1303.8168950 0.26 1333.3686520 0.07 1347.7900390 0.67 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 929.4399 Annotation Unknow Peak:m/z Relative Intensity 292.5835571 0.37 337.0936279 0.18 338.4428101 0.14 390.6826477 0.22 394.2174683 0.37 396.5676575 0.28 397.5809326 0.50 408.4541931 0.19 411.4031982 3.00 412.4339600 1.14 429.2864990 0.83 438.9849854 0.14 499.6482544 0.33 538.4912720 0.11 547.5015259 1.25 548.6363525 0.09 555.4491577 3.27 556.4635010 0.36 558.6476440 1.14 559.4816895 1.58 573.4672241 11.81 574.4257202 3.47 575.1219482 0.45 591.4201050 1.72 592.0324097 0.33 592.6699829 0.22 610.3611450 1.00 615.6509399 0.68 639.5897827 0.31 652.5570068 0.33 654.7045288 0.37 662.3317261 0.31 669.7449341 1.40 673.4705811 0.08 679.3546753 0.65 687.4171753 2.09 688.5209351 0.58 706.4890137 0.71 717.5791626 1.64 726.4841919 0.27 731.3001099 0.42 735.5530396 17.38 736.3751221 6.16 749.3447876 0.12 750.5250244 0.86 753.4775391 9.72 754.4636841 2.10 766.2263794 0.13 767.5833130 0.56 771.8883667 0.29 775.5238647 0.11 793.4316406 1.23 794.1437988 0.47 794.8008423 0.18 798.5311890 0.45 805.3279419 0.37 806.6406860 0.24 809.4943237 0.95 811.4082642 1.10 812.4116821 0.80 813.5078125 0.20 823.4744263 0.21 831.6555176 1.98 832.7505493 0.86 833.4987183 0.46 839.7553101 1.01 847.5503540 0.32 849.5037231 7.21 850.6045532 2.33 852.5498047 0.43 853.6970825 0.28 867.5894165 1.78 868.3556519 0.39 869.5798950 2.93 870.7411499 2.13 875.2625122 0.44 885.4032593 3.85 886.6395264 0.76 893.4381714 5.64 894.5552368 2.96 897.1868286 0.35 902.6981201 0.39 911.4379272 100.00 912.5394287 35.14 913.7387085 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1081.3416 Annotation Breynin G Peak:m/z Relative Intensity 301.2334595 1.21 302.2611389 0.30 311.5079346 0.72 314.9493103 0.09 320.7029724 0.29 330.2229004 8.45 331.2689514 0.66 333.4766846 0.50 339.2698059 0.25 345.1629028 38.10 350.5662842 0.60 355.1296997 0.24 369.4917603 0.13 375.1289062 0.68 393.3573608 0.56 407.4648438 0.23 411.2319641 5.60 416.6713867 0.13 429.2896729 0.22 432.9191284 0.22 435.0722656 1.80 435.7677917 0.15 451.5112305 0.43 453.1490479 1.44 471.4536438 0.86 477.1827393 1.43 482.8700867 0.40 483.7141724 0.36 494.6409302 1.21 495.2696533 2.50 501.2125244 0.22 509.0478821 0.11 513.1867676 1.11 519.2128906 1.40 537.1984863 0.60 555.2926025 33.08 572.9918213 1.82 573.7954102 0.27 591.4486084 0.82 597.2498779 0.72 615.6479492 0.64 651.2269897 1.12 655.3480225 4.35 663.0414429 0.97 669.3422852 62.87 675.2882080 0.70 735.3063965 100.00 736.0358887 0.31 739.0374756 0.40 772.5115967 0.41 785.3206787 0.13 787.2483521 0.97 823.4012451 0.19 842.4471436 0.13 857.2678223 90.25 857.9670410 0.24 883.4567871 1.17 901.2460938 81.54 901.9361572 0.21 904.8049316 0.97 992.1840820 0.45 994.3471680 0.17 1019.4780270 0.07 1032.3812260 0.28 1035.5690920 0.37 1037.2354740 1.44 1063.4434810 0.47 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 478.2937 Annotation PC(15:1(9Z)/0:0) Peak:m/z Relative Intensity 139.9694214 0.07 152.9032288 0.03 214.0473785 1.86 243.1766663 0.11 279.2908325 0.03 281.3031616 100.00 281.9246216 0.20 295.8833313 0.04 298.2932129 0.05 317.3945007 0.25 332.9357605 0.03 375.8939209 0.05 382.1569519 0.02 389.3117371 0.07 421.0239868 0.04 430.3476562 0.06 432.5933838 0.08 433.2935181 0.05 435.0171814 0.03 439.9842834 0.09 442.2502136 0.39 443.1908569 0.03 450.4575195 0.11 460.1331482 0.41 461.2253113 0.47 462.5045776 0.16 463.5392151 0.09 477.4341125 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1101.5106 Annotation Unknow Peak:m/z Relative Intensity 439.5123291 0.34 480.5133667 0.35 483.4210815 0.14 501.6032104 0.64 502.6179810 0.53 544.4356689 0.21 677.5450439 2.03 678.5062256 0.89 762.7059937 0.25 793.3327026 0.26 821.5769043 0.26 925.5793457 100.00 926.5477295 54.28 927.1789551 0.21 939.7484131 0.27 941.9816895 0.31 967.6361084 0.24 969.6685791 0.09 972.5583496 0.31 999.4018555 0.60 1000.6671140 0.21 1040.7490230 0.16 1083.6578370 0.79 1084.4743650 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 963.2388 Annotation Quercetin 3-(6''''-ferulylsophorotrioside) Peak:m/z Relative Intensity 271.0389709 0.03 281.1019592 0.07 298.3143921 0.05 299.7235718 0.04 303.1040344 0.10 315.1034851 0.10 315.9532471 0.28 317.2114868 0.03 329.6370239 0.27 330.6817017 0.42 331.5505676 0.11 332.2725830 0.09 346.2500916 0.04 351.4293823 0.03 352.3988037 0.04 355.4595032 0.02 357.2144165 0.09 369.3494263 0.06 373.1053467 0.11 386.0388184 0.11 396.9781799 0.02 404.0535278 0.06 409.0891724 0.03 419.2310791 0.02 447.2734375 0.06 473.1481323 0.10 485.5415649 0.06 499.2773438 0.08 505.6021118 0.23 506.2982178 0.15 507.0296021 0.03 528.4469604 0.20 570.5157471 0.08 575.3206787 0.02 593.3161621 0.03 608.2054443 0.05 611.4218750 0.05 617.3527832 0.16 618.1937866 0.05 619.5469971 0.03 625.2313232 0.07 626.4161987 0.15 631.1412354 0.24 637.1981201 0.26 638.4776001 0.17 655.3765259 0.39 656.1572876 0.08 669.4724731 0.03 679.1810303 0.13 743.6015625 0.08 769.2574463 7.89 770.2848511 2.74 772.1126099 0.03 783.6074219 0.08 787.2625122 100.00 788.3622437 44.63 795.3499146 0.12 796.1735840 0.03 801.2702637 8.10 802.4530029 2.94 813.2152710 0.52 814.4177856 0.28 827.5859375 0.04 831.3955688 0.95 832.3696289 0.69 839.5810547 0.05 873.5079956 0.03 874.5841675 0.12 891.1832275 0.06 919.5046997 0.23 946.0298462 0.26 949.1710815 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 388.22 Annotation Unknow Peak:m/z Relative Intensity 114.9802475 0.38 116.2280579 0.07 118.9859924 0.08 120.1331635 0.46 121.0377197 0.07 133.0529480 1.11 134.0761719 0.20 137.1720886 0.05 138.1606140 0.19 139.9480896 0.50 147.0410919 0.57 149.1222839 0.08 156.0498047 0.23 165.1102905 0.38 168.9752045 0.12 173.3021545 0.14 177.1288605 0.47 182.1876221 0.16 191.0880127 0.11 192.9541931 0.20 197.2357788 0.16 203.0032349 0.10 205.3065186 0.59 207.1293335 0.08 209.1525269 100.00 212.2131348 1.28 215.5165253 0.12 217.2179108 0.55 220.0649261 0.10 225.2830811 0.08 226.1079712 0.19 230.5289917 0.10 232.8873901 0.13 237.1841125 0.34 242.0925903 0.13 248.0231628 0.23 251.2285461 0.46 254.8436890 0.31 260.2813110 0.11 261.3876038 0.08 262.0414429 0.23 271.7957764 0.27 277.1771851 0.12 285.1774292 0.14 288.3019409 0.26 296.0921936 1.13 300.0562439 0.24 303.4896240 0.38 308.9720459 0.11 311.8614197 0.05 313.0745850 0.71 315.3588867 0.47 326.4209595 0.14 327.5473022 0.50 328.8571777 0.41 329.6529541 0.39 330.3143005 0.10 333.4827881 0.09 340.5696716 0.09 341.3972473 0.26 342.2406006 0.40 343.1360474 0.08 344.2807312 0.10 345.3086548 0.26 345.9173889 0.31 352.0863037 0.30 353.3591003 0.07 356.3252869 0.41 359.0962830 0.44 359.9927063 0.42 364.7231140 0.09 369.5033264 0.75 370.4659119 6.75 371.2463684 6.25 374.9483337 0.16 379.2133484 0.46 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 651.1125 Annotation Oxidized glutathione Peak:m/z Relative Intensity 237.1719360 0.10 248.9546814 0.39 256.3266907 0.09 259.9239197 0.27 277.0767212 0.13 289.6030579 0.16 294.1851807 1.37 295.0667725 0.29 312.1673889 0.60 313.1554565 0.18 317.1328735 0.06 321.2281189 0.13 326.1570435 0.06 335.9197998 0.15 346.1540527 0.31 352.0037842 0.78 353.0183716 0.19 360.1925659 0.47 375.4380493 0.09 376.8295288 0.03 378.1439209 7.60 393.1691284 18.90 396.1926880 0.15 397.8513794 0.04 412.1252441 1.39 413.4029541 0.14 425.9550781 0.07 428.8353882 0.09 441.9028320 0.09 446.8894653 0.05 447.5323486 0.09 465.1509399 2.81 478.0698242 0.31 480.1405029 0.74 486.3708496 0.09 488.3192749 0.29 489.3284302 0.10 501.7131958 0.51 504.2398071 6.39 505.1986694 0.65 513.1203613 0.21 513.8842163 0.05 516.3941040 0.12 522.1166382 100.00 548.3874512 0.15 552.6076050 0.30 553.3495483 0.25 558.2606201 1.06 561.2289429 0.21 576.1420288 0.44 613.4570923 0.24 614.2820435 0.04 615.3925781 0.58 616.5783081 0.07 622.2618408 0.18 633.1514282 26.53 634.0772705 0.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 653.3536 Annotation Unknow Peak:m/z Relative Intensity 210.8287201 0.02 279.3476562 0.11 315.8047485 0.05 330.1716919 0.08 331.0932007 0.29 343.3792114 0.14 344.1482544 0.21 345.1675415 0.53 353.2395020 0.06 427.4777832 0.10 431.7498169 0.02 439.4276123 0.06 442.8886108 0.04 456.4501343 0.03 463.4417725 0.04 473.4669189 0.19 474.1209717 0.03 475.2940674 0.09 476.3621216 0.25 477.1351929 0.06 478.5415649 0.13 487.4648438 0.05 489.1312866 0.48 490.2197266 0.04 506.9618530 0.13 507.6005859 0.04 511.2847290 0.07 521.0845337 0.21 530.9671021 0.04 536.2999268 0.06 558.4028931 0.05 563.4515381 0.10 573.4876099 0.19 574.6345215 0.07 579.1497803 0.04 589.4694214 0.50 590.6318359 0.14 592.5637817 0.04 593.7859497 0.09 607.3672485 100.00 608.0086060 0.34 609.4685669 0.32 611.7155762 0.03 617.5223999 0.10 621.1479492 0.20 622.2590942 0.18 627.7474976 0.01 630.1570435 0.18 631.3966064 0.25 634.3000488 0.06 635.3682251 0.17 636.7700806 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 687.3588 Annotation Unknow Peak:m/z Relative Intensity 287.3532715 0.04 329.2651978 0.11 363.4783936 0.05 384.3513794 0.11 431.3878174 0.11 439.4364624 0.03 450.5075073 0.18 479.6259766 0.11 489.3258667 0.18 507.5165405 0.05 509.4931641 0.44 510.5118408 0.31 511.6355591 0.39 515.6810303 0.04 523.5269165 0.26 524.5519409 0.17 525.5086060 0.86 531.2820435 0.08 545.3256226 0.07 565.5316772 0.15 567.8423462 0.06 585.4143677 0.06 597.6265259 0.19 611.4734497 0.06 612.2212524 0.03 618.3251343 0.03 623.1918335 0.03 624.4166870 0.13 625.1835938 0.03 627.4752197 0.22 639.5409546 0.31 641.5044556 100.00 642.3209839 0.13 643.4541016 0.04 648.0486450 0.05 651.6116333 0.24 654.8783569 0.69 655.4898071 0.42 656.3677368 0.15 657.0704956 0.13 669.2876587 0.92 670.6245728 0.03 679.4537354 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 274.96 Annotation Unknow Peak:m/z Relative Intensity 114.9286346 4.91 116.0012436 2.66 116.8837433 3.39 125.1702118 0.12 131.0170898 0.28 132.1066284 0.08 133.0209961 0.42 158.9562683 100.00 160.0368652 49.02 160.9148712 72.79 187.3140411 0.07 190.9781189 0.11 199.9182434 1.33 200.9442444 2.74 202.0079041 0.05 203.2559509 0.07 218.0988464 0.25 219.1080017 0.94 229.1380310 2.30 230.0300598 18.59 231.0084839 35.02 245.5092163 0.20 246.1455994 0.31 247.0911560 0.50 257.1690369 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1213.3844 Annotation Unknow Peak:m/z Relative Intensity 344.0284729 0.08 345.0949707 2.18 381.1794739 0.02 387.0825195 0.04 423.5098877 0.07 435.3359985 0.11 437.4332275 0.02 445.1090088 0.02 453.1013794 0.31 455.2424316 0.23 465.7649536 0.06 475.2379150 0.05 507.1649780 0.04 513.2905273 0.04 515.4055786 0.04 525.4807739 0.07 537.1705933 0.23 555.2785034 0.08 560.7425537 0.04 577.4187012 0.07 582.5267334 0.06 595.2402344 0.07 621.1324463 0.03 627.1976318 0.06 639.4022217 0.05 651.4235840 0.80 655.0888062 0.18 657.1563721 0.03 668.8353882 0.02 669.5310059 0.12 675.1131592 0.19 679.5150757 0.05 687.3889160 2.35 705.2683105 0.08 735.3088989 0.10 769.3814697 0.67 783.3450317 2.91 786.0158691 0.09 787.3140869 1.74 801.3378906 60.04 822.4268188 0.03 827.1567383 0.19 830.3937378 0.15 843.3933105 0.11 857.4672852 0.08 867.3522949 1.45 871.1000977 0.06 875.4558105 0.09 879.1062012 0.06 883.4090576 0.12 892.1043701 0.12 901.2916260 0.26 905.2518311 0.13 913.4553223 0.02 919.3839111 1.02 963.5078125 0.29 971.4291992 0.11 973.6171875 0.02 988.8281250 2.26 989.4317627 46.73 1001.5280760 0.15 1012.1014400 0.04 1015.3294680 1.65 1019.1822510 0.07 1033.3005370 100.00 1034.0104980 0.15 1051.5012210 0.44 1053.1967770 0.08 1067.4228520 0.06 1077.5253910 0.06 1091.4555660 0.12 1101.3753660 0.02 1125.1311040 0.06 1137.2644040 0.03 1150.3413090 0.10 1162.4865720 0.03 1166.5253910 0.05 1168.5371090 0.97 1177.4218750 0.05 1180.5698240 0.20 1181.3114010 0.03 1194.1354980 0.24 1195.6269530 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 439.182 Annotation cis-3-Hexenyl b-primeveroside Peak:m/z Relative Intensity 157.0284729 0.07 174.9647522 0.02 178.8335571 0.03 241.1820374 0.02 259.0062256 0.03 263.1194458 0.12 287.1418457 0.04 307.1357727 0.16 311.1399231 0.08 337.5325928 0.03 359.1919556 0.03 359.9021606 0.03 371.3049011 0.03 377.3282776 0.14 379.0769653 0.10 393.2280884 100.00 393.8582153 0.28 395.0339355 0.03 411.1461487 0.02 420.3316650 0.03 421.3862000 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 933.2299 Annotation Quercetin 3-[(6''-feruloylglucosyl)-(1->2)-beta-arabinopyranoside]-7-glucoside Peak:m/z Relative Intensity 272.3437195 0.02 297.0706482 0.01 304.2858582 0.09 308.0294495 0.04 312.8348999 0.01 314.1756897 0.04 315.1581726 0.09 316.2835693 0.06 317.0377808 0.04 324.8690796 0.04 329.1752319 0.03 330.2785034 0.10 331.2433777 0.52 332.1806030 0.23 332.8993530 0.07 341.2720337 0.07 368.2861633 0.02 373.2472229 0.08 374.1580200 0.06 380.4288025 0.02 404.1107178 0.07 428.2949829 0.03 439.4094849 0.03 449.5356445 0.04 453.1266479 0.07 469.9626465 0.15 490.2082520 0.05 498.3604126 0.07 503.3137817 0.03 505.2451782 0.10 506.3419800 0.13 507.3268433 0.02 559.4250488 0.06 560.1767578 0.03 593.6116943 0.04 594.3843384 0.11 601.3961792 0.09 602.4210815 0.08 603.4904175 0.02 606.2022705 0.01 616.4703979 0.01 621.2052612 0.07 622.1012573 0.02 626.5544434 0.04 628.3823242 0.07 630.5884399 0.08 636.8464355 0.14 637.6124268 0.11 638.4002075 0.45 639.3745728 0.18 651.3155518 0.12 655.3234863 0.17 656.4099121 0.18 657.1658325 0.09 658.6694946 0.02 739.4922485 0.10 740.4984741 0.09 751.4420776 0.06 752.3200684 0.05 753.9436646 0.02 755.2653198 0.08 765.0662231 0.02 766.5025635 0.03 769.3973999 1.76 770.3290405 4.91 771.3741455 2.30 772.4597168 0.02 773.4582520 0.02 783.7639771 0.08 784.4106445 0.04 785.5872192 0.07 787.5482178 42.91 788.3261108 100.00 789.2699585 36.68 789.9355469 0.10 801.4288940 0.09 802.3410034 0.71 803.2804565 0.29 814.0969849 0.25 818.6079712 0.04 845.0310669 0.16 854.3880615 0.02 856.2175293 0.02 862.3129272 0.17 863.4951782 0.02 887.3471069 0.02 890.0061646 0.11 890.6528931 0.37 916.3365479 0.29 917.3769531 0.05 919.2183228 0.08 920.2279053 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 763.4639 Annotation Eryloside F1 Peak:m/z Relative Intensity 231.0920868 0.06 235.0783234 1.03 247.2335815 0.27 249.3056030 100.00 250.2948608 1.38 250.9516144 0.03 253.1009827 1.77 255.1576233 0.12 272.5783691 0.05 273.3292847 0.05 277.3658752 0.07 291.2433472 0.08 296.1672363 0.04 303.0088196 0.06 312.3027954 0.10 338.9028320 0.31 353.1939087 0.07 375.2037964 0.25 401.7578125 0.13 431.7260742 0.33 433.5736694 0.06 464.3502808 0.11 467.2584229 1.53 468.2086182 0.03 485.1060181 18.10 486.2881470 0.43 493.5343628 0.31 507.3476562 0.06 511.3278809 0.08 525.5798340 0.57 527.9385376 0.23 559.5335693 0.12 561.3296509 0.15 567.4691772 0.09 579.1409912 0.10 580.2601929 0.15 683.8554688 0.11 690.1959839 0.18 691.5103149 0.16 699.8840942 0.05 701.6119385 0.09 703.8450317 0.23 706.5346069 0.28 709.3016357 0.24 710.6485596 0.35 717.1122437 52.59 718.0571899 1.20 720.0368042 0.34 727.3246460 0.31 728.5244751 1.09 745.8139038 0.34 746.8933716 0.43 747.8613281 0.04 749.6829834 0.13 763.1715698 0.40 763.9410400 0.12 764.6907959 0.14 765.8366089 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1261.5518 Annotation Unknow Peak:m/z Relative Intensity 367.2301025 0.32 379.5212708 0.08 380.3147278 0.07 415.6084595 0.08 425.4438477 0.10 426.0545349 0.02 438.7636719 0.02 441.3707581 0.03 453.0275879 0.08 455.4438477 3.31 456.4632568 0.41 467.6002197 0.02 469.5649414 0.06 499.7436829 0.06 501.6781311 0.10 568.1414795 0.02 583.2907715 0.10 591.7018433 0.12 599.5205078 0.03 643.1203613 0.04 677.5260620 0.84 701.3975220 0.05 729.1349487 0.04 763.4078369 0.24 764.5756226 0.03 805.2533569 0.02 806.8480835 0.18 807.6577148 0.53 808.6516113 0.21 851.4365234 0.09 910.5921631 0.09 953.5162354 7.32 954.6707764 3.42 955.5617676 12.22 956.5321045 1.41 1085.6030270 0.02 1093.7967530 0.13 1097.5863040 0.03 1098.4252930 0.04 1101.4174800 0.32 1102.7113040 0.10 1113.7629390 0.11 1114.5532230 0.08 1117.1862790 0.03 1129.7279050 0.27 1131.4768070 100.00 1132.5921630 15.59 1141.4426270 0.49 1159.4768070 0.84 1160.3568120 0.10 1199.7028810 0.02 1201.7324220 0.04 1202.4527590 0.02 1217.5849610 1.70 1218.5386960 0.79 1225.5185550 0.05 1226.5032960 0.05 1228.2653810 0.02 1229.3620610 0.04 1243.4633790 4.98 1244.5693360 0.88 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 757.2552 Annotation (E)-Aldosecologanin Peak:m/z Relative Intensity 235.1093750 0.13 237.8547668 0.10 239.2532959 0.13 269.1744690 0.34 292.9257202 0.12 334.2826538 0.08 343.3363037 0.20 355.1545410 100.00 356.2229614 3.64 401.2849121 12.46 402.2172241 0.23 402.8908081 0.07 437.3594360 0.19 443.4772339 0.08 459.3303223 0.08 471.6078491 0.31 475.2849121 0.15 501.4914551 0.04 503.5561523 0.08 507.3870850 0.10 519.3554077 0.60 526.4648438 0.15 533.4001465 0.06 537.4389038 0.30 546.2243652 0.18 551.4299927 0.43 559.1288452 0.90 564.3139648 0.49 574.5230713 0.29 577.6493530 0.67 580.9939575 0.05 592.9520874 0.06 595.2036743 1.09 596.4754028 0.25 597.4588013 0.39 599.1384888 0.08 605.1699829 0.14 611.3755493 0.20 625.4736938 0.12 626.1747437 0.09 630.7236938 0.21 636.7830200 0.10 639.5178223 0.09 640.6279297 0.13 643.2490234 0.13 652.7274170 0.08 659.4882202 0.09 664.3126831 0.25 669.5827026 0.95 675.4492188 0.11 682.2525635 0.12 685.4792480 0.43 697.3965454 0.12 712.2494507 0.49 713.6950684 0.58 714.5011597 0.26 721.2153931 0.58 722.1311035 0.05 726.0054321 0.17 735.8708496 0.42 739.3916016 0.50 740.2703247 0.36 741.6680298 0.40 749.3093872 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1143.4689 Annotation Unknow Peak:m/z Relative Intensity 329.0893250 4.68 344.1841125 10.91 358.0024414 0.24 359.1731567 21.87 365.1801147 0.06 378.8527222 0.05 499.5939941 0.13 520.2045898 0.18 524.3375244 0.16 535.0724487 100.00 535.7509155 0.10 563.2381592 0.67 607.5410767 0.06 633.3194580 0.05 663.3120728 0.08 673.5748901 0.05 755.5575562 0.13 757.9031982 0.13 768.3554688 0.06 770.7213135 0.10 775.6572266 0.11 798.4736328 0.18 800.3273926 0.07 833.6463623 0.13 840.5202637 0.06 874.3583984 0.38 883.5434570 0.09 923.6882324 0.50 951.2833252 0.10 955.5107422 0.19 962.4289551 0.27 965.6802979 0.49 968.0180664 0.61 979.0668945 0.09 981.8726807 0.23 983.6713867 0.13 1023.5773930 0.25 1024.3465580 0.11 1041.6954350 0.11 1063.4716800 2.50 1064.3417970 0.09 1081.4782710 0.07 1083.8580320 0.09 1093.5897220 0.09 1099.4057620 2.64 1100.5321040 0.19 1107.8153080 0.10 1113.5251460 0.12 1122.5769040 0.27 1125.5031740 0.25 1126.9804690 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 520.33 Annotation Unknow Peak:m/z Relative Intensity 132.7701263 0.03 160.2353973 0.05 163.2605896 0.05 175.0237427 0.05 177.0028839 1.71 177.6258240 0.03 178.9442749 0.01 201.3177643 0.05 218.8280640 0.08 220.9869843 0.87 226.2339935 0.05 231.0926361 0.07 239.0728455 0.33 256.6001282 0.18 265.1003418 0.94 267.2684937 0.08 270.2688599 0.13 273.0872803 0.09 282.4470520 0.38 283.3409424 0.43 286.3659668 0.07 290.0828552 0.07 296.5751343 0.05 300.3077698 0.06 308.3643799 0.27 309.1558228 0.93 311.3737183 0.04 316.3284912 0.02 320.2246094 0.10 322.1538696 0.08 323.2277222 0.12 327.2301636 0.50 338.0706787 0.05 339.2776489 0.14 340.2966919 0.08 353.0247803 1.61 355.4431763 0.03 358.5964966 0.12 365.3549805 0.07 366.4011841 0.05 367.0356445 0.08 371.4503784 0.61 381.4521484 0.02 385.2011108 0.19 387.0602417 0.04 396.2485352 0.16 397.2771606 1.26 408.5289917 0.04 415.4279785 1.13 420.7609253 0.02 434.4855347 0.08 441.1748047 0.33 442.9079590 0.08 447.1503296 0.35 448.2960205 0.10 459.3536377 1.17 461.5764771 0.15 483.9771118 0.15 485.2422485 1.80 492.4271240 0.03 500.9254150 0.12 501.9086304 0.63 503.2545776 100.00 504.0210571 0.38 510.7713013 0.14 511.4744263 0.17 519.8164673 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 307.8052 Annotation Unknow Peak:m/z Relative Intensity 90.1408844 0.03 116.6343842 0.02 136.2427063 0.01 154.9036255 0.07 155.8125916 0.13 164.9609833 0.02 181.1036224 0.19 182.0250092 0.02 184.1964417 0.05 202.2246704 0.05 213.1729126 0.05 229.2101746 0.15 229.9112244 0.03 232.7602234 0.05 237.4018555 0.04 243.9273071 0.01 263.5879517 0.24 266.2464600 0.04 268.2314453 0.05 269.4856567 0.07 274.7635498 0.07 282.6256714 1.65 283.5046082 0.36 284.4653015 0.06 290.2146912 0.22 291.0326233 0.01 291.8855286 1.81 292.6265564 0.51 294.1597900 0.08 298.6920471 9.18 299.7116699 0.14 300.5045776 0.06 301.9122314 0.61 314.2649536 0.01 335.0762024 0.06 338.6211853 0.10 344.1594543 0.19 347.3098450 3.26 348.5380249 0.57 370.9636536 0.05 373.8721313 0.05 374.4888306 0.08 376.4292908 0.12 377.4098206 0.02 379.0361023 0.03 380.6903992 0.56 381.4491882 0.52 388.0100403 0.47 388.9786377 0.67 390.1923828 0.19 394.0215149 0.02 394.8966370 0.06 397.9623718 3.88 398.8443909 1.11 401.9757385 0.91 403.1636658 0.80 408.3702087 0.04 411.9209900 100.00 412.9880066 13.72 414.7403259 0.06 417.0860901 0.58 418.2817078 0.20 422.9214478 0.11 425.7825317 7.40 426.4691772 4.53 427.4295044 0.11 433.2468872 0.03 453.1830750 0.30 478.4453430 0.12 669.2035522 0.04 694.1236572 0.04 695.7243042 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 280.2631 Annotation Linoleamide Peak:m/z Relative Intensity 80.9403305 0.32 82.9689636 0.06 83.8582993 0.16 84.9489288 0.06 86.0468521 0.24 86.8797913 0.02 91.0178223 0.09 92.8412781 0.21 94.8768005 1.54 96.3439026 0.09 97.0566864 0.56 98.8632507 0.20 100.0208740 0.61 105.1566391 0.12 107.0931244 0.31 109.0226898 1.49 111.0334320 0.78 111.7964172 0.04 113.3727646 0.34 114.0568314 1.15 118.8777390 0.41 121.1021347 1.42 123.0853195 1.12 124.0665054 0.17 125.0377274 1.16 127.3039703 0.70 128.1794128 1.85 133.0990295 0.82 135.0997467 1.99 135.9007568 0.04 137.1134033 1.48 139.0841675 0.81 140.0312805 0.34 141.0921631 0.10 142.0562744 2.91 145.1560669 0.05 146.9500732 0.64 149.1002808 4.45 151.0366211 1.94 151.8998108 0.03 153.1097717 1.30 154.0610657 0.18 154.8961945 0.09 156.1349945 3.17 159.8987732 0.07 161.0274963 2.22 163.0273438 2.30 165.0445862 4.73 167.0704803 1.43 168.1209564 0.80 170.0578613 3.99 175.0481262 2.10 177.2260742 1.04 179.1288910 3.58 180.5023651 0.25 181.2129517 0.78 182.1795654 1.15 184.1326294 2.16 189.2049561 2.11 190.3711700 0.09 191.0215149 0.50 193.1419067 0.62 194.2966003 0.03 196.0454102 2.07 198.1472168 3.06 203.2063599 0.73 205.1214600 0.26 206.2510376 0.17 207.1001282 0.68 208.4375916 0.05 210.2313232 1.96 212.0162354 0.18 216.2926025 0.10 217.1911316 0.54 217.8594666 0.07 219.3420105 0.20 221.2627258 1.57 222.2282410 0.06 224.2485046 1.85 231.9967346 0.05 234.1524353 0.08 235.0938416 0.11 236.3956909 0.07 237.0769958 0.02 238.1607971 0.51 245.2742004 52.75 249.1397095 2.43 261.2426147 0.02 263.1817627 100.00 265.0862732 0.82 266.7649536 0.16 279.3611450 0.18 280.4463196 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 709.1399 Annotation Fucophlorethol-B octa-acetate Peak:m/z Relative Intensity 202.0156250 0.37 205.2113647 0.17 206.9940186 0.06 214.9606628 0.35 216.0891876 0.59 217.1200714 0.35 219.0357361 0.04 223.2604675 0.10 229.3679504 0.08 230.2626038 0.09 231.2571106 0.08 233.1327515 0.34 235.2395782 0.03 244.1946106 0.14 245.2498779 0.07 247.0073853 0.07 259.1221619 6.75 261.2643738 0.14 268.0457764 0.08 273.0812378 0.08 289.1748657 0.34 291.1704712 0.47 298.0549927 0.10 298.9612732 0.50 309.3841248 0.07 310.9618530 0.07 312.0903931 0.05 313.4926147 0.20 325.2721558 0.19 326.1643677 0.05 327.1503296 2.84 328.0097656 0.18 333.0500488 0.78 339.2172241 0.86 341.0538635 0.22 342.1246338 7.42 343.2157593 1.11 351.2393188 45.68 355.4339600 0.77 357.1427612 26.81 367.2687378 0.97 368.1622925 0.07 369.2456055 0.25 370.1369019 1.76 370.8164062 0.07 381.3465576 0.05 383.0256348 0.76 384.2030029 0.06 393.1856689 0.77 399.1736450 2.26 411.0964355 0.06 425.2067871 0.69 439.3562622 0.09 448.3854980 0.10 453.0332642 2.51 456.1906128 0.19 465.6305542 0.07 485.1600342 0.75 499.4481201 0.39 515.1998901 100.00 533.4801636 0.09 550.2127686 0.12 621.4846191 0.30 672.6956177 0.15 673.6200562 0.07 689.8850708 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1659 Annotation beta-D-Glucopyranosyl-11-hydroxyjasmonic acid Peak:m/z Relative Intensity 112.8752365 1.26 115.1235352 0.35 119.0394440 1.49 130.8399658 0.66 143.0499573 4.06 144.9273224 0.31 147.0589294 1.12 149.0053406 0.79 161.2988281 0.28 163.0510254 100.00 165.1850891 0.61 178.9428406 0.51 193.2101135 0.33 194.0189972 0.35 207.1484528 30.20 209.2842560 1.55 217.2624054 3.24 225.1673279 17.75 235.1358643 0.30 241.0465698 1.43 248.9947205 0.32 257.3047485 0.16 267.0345154 0.91 279.1453857 1.87 312.2721558 0.19 341.2518921 1.99 343.4837646 0.10 349.2632751 0.90 351.3811035 0.83 357.2770996 0.39 367.7699585 0.13 369.2929993 31.22 370.4053955 0.65 387.2111511 0.70 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0854 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 77.92973328 1.15 87.33049011 0.26 88.91743469 0.87 94.95307922 0.33 98.16880798 0.59 102.8981934 0.48 104.1964722 0.87 104.8858185 0.81 106.0266724 0.30 107.896225 0.16 125.8867645 0.22 127.8952179 0.51 128.9550018 3.31 130.104599 3.23 133.8355713 1.26 136.0979767 1.21 136.7772064 0.45 142.0653534 1.84 146.2207184 0.30 149.0746918 0.44 150.9908142 46.82 152.0023956 37.79 153.0890656 3.28 155.1288605 0.80 156.1873016 0.79 166.1786041 1.58 167.2448425 0.24 168.0314178 2.61 169.2263947 0.65 170.0938568 2.25 174.1724854 0.36 176.05867 1.11 180.0749207 2.23 183.1692352 2.39 184.0917969 0.80 184.9089355 1.29 185.6851196 1.05 190.2642517 0.59 191.0590363 1.01 193.3636932 0.56 194.2802124 1.14 195.0802155 0.84 196.9874878 0.76 198.163147 2.53 199.9785461 0.18 206.1474762 1.79 208.1414337 8.06 209.9766388 0.18 211.0420685 3.59 212.5679474 1.75 218.1386414 3.69 219.2220306 0.43 221.9845276 1.51 223.121109 0.98 225.4190216 5.35 226.3466187 9.19 235.2387543 3.33 236.1528778 8.25 236.9791107 1.80 238.0183258 2.37 239.0971527 14.54 240.0416718 2.08 252.0137482 0.44 253.093277 100.00 254.156601 61.58 255.1381836 0.47 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 465.1434 Annotation Unknow Peak:m/z Relative Intensity 168.8510284 0.79 176.8709412 0.66 191.0498352 0.61 192.9283142 0.64 205.2866974 0.81 229.1769409 0.18 241.0447235 35.88 242.1001587 1.55 242.9176025 1.63 257.0968933 100.00 257.9506836 2.55 259.1398010 12.54 285.4975281 0.81 299.9779053 0.53 360.3306885 0.72 381.2921448 1.51 383.1260071 1.05 409.2526245 13.83 410.3048706 0.29 437.2859192 11.28 438.4735413 1.53 447.6376953 2.04 448.4562988 0.39 449.3088379 0.62 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 675.2672 Annotation Brassica napus non-fluorescent chlorophyll catabolite 3 Peak:m/z Relative Intensity 224.0670166 0.01 226.1421814 0.03 273.0411377 0.04 289.3395081 0.02 293.4566650 0.01 301.2723389 0.02 313.2344666 0.24 314.2667236 0.09 317.0446777 0.01 319.1386108 0.47 320.3035583 0.02 322.2239380 0.02 323.1077271 0.11 324.3738098 0.04 325.3846436 0.02 327.2768860 0.06 340.3312988 0.02 341.4648438 0.05 353.1566772 0.05 355.3440552 0.54 356.5740967 0.05 392.2453613 0.03 403.2353516 0.05 403.9536743 0.02 428.2881470 0.03 430.6572266 0.03 431.4886475 0.07 434.2261963 0.05 435.4151001 0.03 438.2445679 0.02 463.1661377 0.01 464.7606201 0.01 471.5155029 0.02 474.4450073 0.03 475.3204346 0.02 476.4980469 0.05 509.3095093 0.09 510.4399414 0.08 511.4003296 0.01 532.3179321 0.01 535.4331665 0.02 537.2366943 0.01 539.3709106 0.08 540.5844116 0.04 545.2169800 0.05 551.6321411 0.02 552.4688110 0.08 554.2222290 0.01 555.2045288 0.02 557.3642578 1.08 558.3653564 0.45 563.3146973 0.06 569.4843140 0.04 570.1759033 0.01 571.5159912 0.14 572.6399536 0.03 576.4577637 0.02 577.2627563 0.02 581.3827515 0.63 582.4497070 0.21 583.4707031 0.35 584.3142700 0.13 585.1386108 0.01 597.4725342 0.01 599.4011841 42.87 600.4586792 19.42 601.3291016 0.05 602.3980713 0.29 603.4560547 0.12 604.3336792 0.06 614.3018799 0.11 615.4254761 0.35 616.4492188 0.06 625.3782959 0.21 626.3402710 0.06 631.3665161 0.59 632.2074585 0.07 643.3200684 100.00 644.2789307 36.35 644.9329224 0.06 647.5507202 0.08 657.6101685 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1125.2908 Annotation Unknow Peak:m/z Relative Intensity 314.4127502 0.04 315.3645020 0.05 328.9277954 0.03 330.3758850 0.03 331.2501221 0.03 332.2818298 0.03 341.1524353 0.01 369.2232971 0.03 387.2350464 0.01 492.3778076 0.01 504.3957825 0.01 505.5053711 0.09 519.2355347 0.02 527.3448486 0.03 544.2675781 0.05 617.3601074 0.01 631.8327637 0.01 637.4484253 0.05 652.4688721 0.05 655.8308716 0.02 667.6898193 0.02 681.4421387 0.02 708.7518921 0.04 725.0189209 0.02 769.2468262 1.39 770.2197266 0.26 780.2847900 0.02 787.2905884 12.35 788.3184814 2.91 788.9404297 0.02 801.3987427 0.48 802.6514893 0.02 806.9770508 0.04 811.6152344 0.11 817.4534912 0.02 823.2698975 0.02 829.4781494 0.29 830.5428467 0.10 831.2709961 0.03 843.3702393 0.05 853.1679688 0.09 881.7131348 0.03 887.7624512 0.03 913.4777832 0.13 919.3115234 0.01 920.6604004 0.01 922.7321777 0.03 931.4285889 0.40 932.3972168 0.09 945.3287354 0.05 949.3427734 2.70 950.3145752 0.89 950.9349365 0.04 955.2845459 0.02 963.3081055 100.00 964.2764893 24.22 965.0212402 0.04 975.7471924 0.02 988.4843750 0.08 993.3343506 0.13 994.3120117 0.03 1005.2027590 0.59 1006.3431400 0.25 1044.3927000 0.03 1051.6108400 0.02 1099.5285640 0.01 1107.2415770 0.24 1108.1152340 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 583.2 Annotation Sylvestroside IV Peak:m/z Relative Intensity 165.0448914 1.60 179.0588989 3.08 193.3167114 0.03 195.1385651 10.49 207.2742004 0.09 227.0248566 0.09 243.6343536 0.05 244.4468689 0.10 249.3069458 0.16 267.2751465 0.15 268.2814331 0.10 291.2671509 0.07 295.2813721 0.07 297.4113770 0.13 303.4990845 0.03 305.0750122 0.06 314.1716309 0.24 323.3246460 0.53 327.2374268 6.14 335.2158203 0.04 339.9856567 0.11 341.4938965 0.11 345.3910522 0.30 346.3729248 0.18 355.3988647 0.04 357.0395508 0.16 361.2935791 0.03 372.3741455 0.03 375.1237793 100.00 382.1768799 0.04 389.3055420 0.08 393.3235474 0.20 401.4392700 0.09 403.1964111 0.34 407.1932373 0.07 409.1748657 0.10 417.1362305 0.13 419.0261230 0.61 420.2880859 0.83 421.1557617 0.42 423.1177979 0.07 443.4660034 0.12 444.5200195 0.17 447.3135986 0.04 451.2591553 0.10 457.2907104 0.15 459.0526123 1.95 459.6553955 0.20 461.6793213 1.01 463.3115845 0.17 467.4206543 0.11 472.2915649 0.03 478.4429932 0.13 483.7185669 0.19 486.3341675 0.12 487.5874023 0.12 492.4475708 0.24 493.3100586 0.07 495.3251953 6.26 496.4174194 2.42 497.4160767 0.12 502.3442993 0.28 509.1395264 0.14 510.2853394 0.09 518.7627563 0.36 520.4048462 0.21 525.3285522 0.66 534.4702759 0.20 536.3376465 12.52 536.9978638 74.02 538.2337646 0.39 539.3742065 3.13 540.1143799 0.04 544.8157959 0.74 547.3798218 3.16 550.4609985 0.09 551.5122070 0.37 564.4136353 2.62 565.3842773 2.93 573.8752441 0.13 574.7876587 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 645.2064 Annotation Unknow Peak:m/z Relative Intensity 234.9491272 0.11 255.1136017 0.12 260.9622803 0.04 291.1781616 0.03 356.4995728 0.26 417.1063232 0.05 420.3299561 0.28 464.0729370 0.06 467.4058838 0.51 469.2462769 100.00 469.8700562 0.74 479.0589600 0.05 479.9229126 0.42 483.3334961 0.21 489.1524658 0.05 497.2547607 0.08 515.5987549 0.04 524.1635742 0.14 529.2025757 0.08 535.5580444 0.07 540.2580566 0.05 547.2938843 0.11 549.1591187 0.10 552.8944702 0.11 554.9882812 0.16 558.1050415 0.15 561.2391968 0.20 565.3911743 20.47 571.4715576 0.06 582.2842407 0.07 596.3319702 0.08 598.2721558 0.05 600.4489136 0.07 601.5131226 0.44 609.2315063 0.05 615.5592651 0.10 625.0154419 0.06 626.6251221 0.79 627.3245850 0.56 628.0652466 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 633.313 Annotation Unknow Peak:m/z Relative Intensity 182.0147552 0.52 183.3785400 0.14 186.1399231 0.16 191.1241302 0.17 195.0473633 0.12 199.0212097 0.20 211.5101471 0.08 215.9648132 0.38 217.2441406 0.30 222.1425323 0.14 228.1469116 0.25 233.3030243 0.05 234.1688080 0.63 235.0309906 0.08 237.1379395 0.26 238.2689056 0.05 245.0420990 0.68 246.0759125 0.17 250.1337128 0.10 251.2697296 0.20 261.4761353 0.88 262.2488098 0.28 270.1289368 0.12 271.3409424 0.20 278.6206665 1.04 279.2587891 0.67 285.1893311 0.18 295.1919556 0.16 296.1942139 3.14 297.2206421 0.32 297.9865723 0.08 310.2777710 0.31 311.3894043 0.08 313.5971069 0.15 328.2610168 0.34 337.8742676 0.77 347.2097778 0.20 364.3652954 0.26 371.1795044 0.40 373.3897705 0.23 381.6051025 0.11 382.4900513 0.31 396.0376587 0.06 407.1458740 0.07 408.5443726 0.12 410.6500244 0.07 426.3033447 0.77 427.5413818 0.66 430.3527222 0.03 439.1529541 0.16 440.5698242 0.71 441.3980103 0.04 443.8016968 0.11 446.8451538 0.94 447.5751953 1.92 461.2811279 2.89 461.9146729 0.64 463.8815308 1.12 469.3006592 0.18 476.5753784 0.07 478.6879883 0.19 484.0563354 0.17 485.5442505 0.31 486.2602539 0.56 493.5090942 0.36 496.7805176 0.24 505.9352417 2.44 506.7083130 0.42 511.4200439 0.47 514.8186646 0.29 521.6417847 0.36 522.4895020 0.60 523.6085205 0.45 527.2360840 0.57 530.4157104 0.94 531.9703979 0.11 533.2170410 0.35 539.3709717 0.22 540.1807861 0.53 541.2019043 0.32 542.7216797 0.47 547.3628540 0.28 550.2188721 0.09 552.0930786 0.57 555.6342773 0.54 557.3211060 0.59 562.0870972 0.04 567.3397827 0.28 570.9120483 0.90 572.3590088 0.25 574.9798584 0.97 575.7866211 0.37 576.8681641 0.25 578.8589478 2.08 579.8925171 0.38 581.4755249 0.64 582.3851929 0.05 583.7728882 0.44 584.7008667 1.74 585.5181274 1.58 586.7395630 1.04 587.8333740 1.63 588.8341064 3.21 589.5225220 0.09 590.7066040 1.86 591.3815308 2.65 592.2811279 1.71 593.3339844 1.06 594.1915894 6.96 594.9655151 1.13 596.7422485 10.81 597.6560669 41.22 598.3593140 10.38 599.4664917 0.78 600.1139526 3.24 600.7147827 0.52 601.6966553 0.70 603.6024170 4.48 604.3331299 4.83 605.6109619 1.62 606.8269653 4.13 607.5926514 5.68 608.6914673 0.37 609.5560303 3.28 610.5708618 4.02 611.2052002 12.72 612.8477173 4.64 613.8375854 0.63 614.9900513 4.89 616.2591553 2.10 617.1759644 2.50 617.8189087 3.67 618.5267944 3.15 619.5619507 3.24 620.7077026 2.85 621.4262085 11.45 623.3098755 22.55 624.5797729 33.59 625.4469604 3.55 626.9265747 6.40 628.4702759 0.57 632.4376831 0.61 636.5814819 0.21 637.3856812 0.72 638.2608643 0.06 643.0062866 0.09 644.5795288 0.42 645.8795166 2.02 646.5093994 0.03 647.1965942 0.25 648.4959717 0.05 652.8963013 0.70 653.5304565 0.17 654.4977417 0.27 655.7492676 0.19 656.9797974 0.85 660.1209717 0.83 661.4963989 0.48 662.2971802 1.17 663.1045532 0.68 670.0588379 0.36 671.7529907 1.52 672.7042236 0.58 673.6198120 0.22 674.2778931 0.68 675.0726318 0.39 676.0396118 0.19 677.0767212 1.00 678.3496094 0.52 678.9735718 1.31 680.7749023 2.82 681.5570068 0.66 682.6307983 0.38 685.7056274 2.32 689.9735107 0.84 691.8125000 0.48 692.6721802 0.49 693.7568359 0.59 696.3074341 0.94 697.6290283 0.40 699.0892944 0.94 700.4927368 0.06 702.2116089 0.18 704.4736328 0.70 706.2052002 0.49 706.9084473 0.63 707.9369507 1.29 709.1376343 2.47 709.8153076 1.63 711.7811890 1.72 712.9045410 0.65 713.9123535 12.59 714.6244507 1.48 716.4259644 3.54 717.6157837 8.04 718.3361206 88.55 719.9655762 1.76 720.7244263 2.01 721.5493164 3.20 722.4050903 0.79 723.1951294 1.07 724.1292725 1.42 725.3095703 1.36 726.2573853 4.15 727.0216675 1.53 727.9086304 0.43 730.7893677 6.33 731.5634155 3.89 732.9116821 0.45 733.5642700 0.09 734.7493286 3.64 735.9125366 2.81 737.5315552 4.20 738.5042725 2.04 739.6074219 0.86 740.6470337 0.59 741.7438354 7.94 742.4291382 6.00 743.3796997 1.91 744.0479126 0.73 745.3858032 6.88 746.1682739 6.21 747.0050049 100.00 749.0861206 4.46 749.9464111 5.42 751.0330200 0.42 752.1717529 0.59 753.5674438 0.69 754.7011108 1.78 755.3864746 1.04 756.2822266 0.45 758.5305176 0.76 759.4257202 1.31 761.1908569 0.66 763.2609253 8.09 764.1650391 1.64 765.4866943 1.67 766.3746338 1.19 767.6895142 2.95 768.5512695 0.20 770.0780640 8.03 771.4150391 0.43 772.2460327 0.07 773.0986328 0.15 774.1616821 0.60 776.6855469 0.56 777.3313599 1.18 778.7809448 0.10 780.1367798 0.47 784.1626587 0.73 785.4255371 0.11 787.3179321 0.14 788.2023315 0.54 789.5713501 2.04 790.4334717 0.55 792.3420410 0.44 794.1336060 1.43 795.3598022 1.00 800.6683960 0.68 805.0183716 0.28 805.7214966 0.46 812.1804199 0.17 815.6075439 3.26 819.8345337 0.24 821.6138916 0.15 823.5759888 0.14 830.4298096 0.65 832.9889526 0.28 834.4603271 0.16 835.6409912 0.19 837.8386841 0.52 838.7186890 0.22 840.7627563 0.21 842.5716553 0.66 849.6961060 0.52 851.8746948 1.01 854.1447754 0.44 857.4556274 0.30 861.6035767 0.70 866.9131470 0.05 867.5581665 0.21 869.7887573 0.82 870.7314453 1.07 871.5311890 0.15 872.5197754 0.11 874.0593262 0.24 876.0029297 0.89 878.0164185 0.03 878.7905273 0.43 882.0634766 0.25 883.5639038 0.09 884.2752075 0.07 887.5330200 0.06 888.5838013 0.33 890.8793335 0.39 892.0082397 0.17 893.7827148 0.43 896.6329956 0.31 899.5194702 0.17 901.9951172 0.23 905.1398315 0.96 908.7817993 0.05 913.5778809 0.72 914.7327271 1.95 929.4277954 0.75 932.9772339 0.04 946.8774414 0.10 956.1232910 0.66 956.9015503 0.44 960.3129883 0.52 966.5784302 0.17 967.6808472 0.13 968.9191284 0.13 969.6317749 0.12 971.8100586 0.26 972.5011597 0.41 974.6616821 0.04 983.6027832 0.24 986.0380249 0.43 989.5988770 0.27 990.8388672 0.40 993.7971802 0.09 1006.7609250 0.42 1008.5060420 0.36 1011.6724240 0.09 1012.4281620 0.10 1024.7434080 0.04 1029.6818850 0.11 1039.8298340 0.29 1049.5466310 0.11 1051.7933350 0.09 1066.7741700 0.03 1073.6984860 0.17 1075.5965580 0.34 1076.8161620 0.08 1077.9459230 0.27 1078.6916500 0.03 1081.6003420 0.12 1083.7307130 0.28 1094.9140620 0.06 1098.7451170 0.09 1111.6348880 0.05 1131.7077640 0.27 1140.6186520 0.06 1142.4672850 0.12 1143.3480220 0.09 1154.6582030 0.12 1177.6062010 0.15 1179.8917240 0.08 1209.9700930 0.06 1217.3311770 0.16 1240.1453860 0.14 1246.6807860 0.24 1262.0639650 0.12 1263.0482180 0.13 1265.0893550 0.08 1301.0932620 0.15 1304.7398680 0.06 1305.7957760 0.26 1315.6549070 0.15 1322.9097900 0.46 1323.7686770 0.04 1345.4837650 0.15 1349.3238530 0.14 1350.4251710 0.14 1373.1828610 0.04 1378.7371830 0.24 1416.8111570 0.20 1446.6177980 0.12 1475.2332760 0.17 1526.4398190 0.11 1577.1619870 0.05 1617.2434080 0.27 1741.2894290 0.49 1741.9284670 0.24 1773.8602290 0.16 1809.1099850 0.12 1854.0666500 0.06 1868.9652100 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 191.02 Annotation Diketogulonic acid Peak:m/z Relative Intensity 58.8246460 2.70 86.9708710 2.05 102.8811493 11.12 111.0324097 0.07 112.8293915 0.59 119.0430298 0.15 120.1192017 0.11 121.1818542 0.05 130.8894806 100.00 145.1260529 0.08 149.0645905 0.25 173.0869598 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 409.1859 Annotation Vernoflexuoside Peak:m/z Relative Intensity 118.1599121 0.30 129.9136658 0.10 133.9724274 0.13 142.2251434 0.14 143.1832733 0.03 144.0079041 0.61 146.0048065 2.35 147.0950623 0.04 150.0439453 0.12 151.0894775 0.05 155.1100769 0.17 156.8424683 0.14 159.2986603 0.04 161.0180511 0.19 171.0756683 0.20 173.2357178 0.04 176.1501007 0.11 176.8881531 0.17 183.2158356 0.07 188.0564575 25.84 191.1687622 0.06 202.0254974 0.26 202.8945923 0.12 205.0331421 100.00 205.8637848 0.15 209.2622375 0.04 210.2197113 0.05 210.9994354 0.08 214.1492310 0.09 214.9929352 0.10 220.0251923 0.08 223.0053406 0.25 229.1182251 0.10 231.3605957 0.11 232.8942871 0.10 237.4625244 0.04 241.0223083 0.22 245.6483765 0.09 251.2163086 0.19 253.1833191 0.03 255.4115295 0.27 259.3568115 0.07 264.1811218 0.19 266.3506165 0.04 269.1087341 0.57 273.2683716 0.32 275.1302490 0.14 276.1600342 0.03 278.2576904 0.13 284.0133972 0.13 285.2413330 0.49 286.2252197 0.14 287.3004456 0.14 288.2287598 0.41 297.3842773 0.05 302.3396301 0.10 303.1986694 0.08 307.2463989 0.04 308.2699585 0.16 309.2418823 0.11 309.9409790 0.13 316.0122681 0.05 317.3518066 0.09 320.8342896 0.08 322.4729004 0.13 327.1183167 0.03 333.3934631 0.09 334.0895996 0.13 335.4649048 0.05 337.3930664 0.03 338.4633789 0.15 344.8675842 0.05 346.7630005 0.10 347.3818665 0.23 351.4804688 0.25 353.5246582 0.09 359.2277222 0.24 361.2369385 0.07 362.7513733 0.42 363.4178772 0.17 364.5347595 0.15 367.1734619 0.21 368.1439209 0.11 371.7432861 0.09 377.3790894 0.33 378.0335693 0.45 379.1849670 0.05 380.3055725 0.11 381.4156494 0.05 382.1520081 0.36 383.3332520 0.32 384.2707214 0.24 385.9671021 0.14 391.0336609 2.55 392.1175537 0.60 394.4745789 0.04 399.5537415 0.81 400.3771973 0.98 401.3267517 0.37 402.2998657 0.30 403.7285156 0.04 408.4728088 0.39 409.4353943 0.08 410.1264954 0.07 417.5781555 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 817.2034 Annotation Kaempferol 3-glucosyl-(1->2)-gentiobioside Peak:m/z Relative Intensity 227.4346008 0.27 229.2562256 0.62 230.1520844 0.16 231.1320801 0.30 232.9798889 0.34 239.1143036 8.36 240.1832275 0.84 241.1044769 0.99 243.0864563 0.15 246.1893768 0.35 247.0483246 0.74 250.2432404 0.12 253.3918610 0.28 255.0841217 1.28 256.2098389 0.68 257.1499939 1.21 258.0669861 2.39 258.9247437 0.31 266.1995850 1.01 267.3106384 0.84 268.2092896 0.49 270.1151123 1.03 272.1517639 0.78 273.0832214 1.95 274.1416626 1.42 275.2931519 0.21 279.2883301 0.36 280.9450684 0.16 283.1624146 0.88 284.3274841 0.42 285.1666870 0.24 286.0282593 5.48 287.1544495 0.52 288.3480225 0.17 294.1506958 0.32 295.0487671 0.23 299.2532043 1.80 301.4113159 4.10 302.1113586 11.18 303.1397705 8.97 304.0784302 1.51 304.8626709 0.59 309.0172119 0.29 310.2332764 0.30 311.2584534 0.15 312.1285400 0.16 313.1301270 2.17 314.2131958 0.08 315.1925659 1.84 316.0411682 2.12 317.2041626 2.00 318.1225586 3.13 323.1301270 0.58 324.3054504 0.82 324.9755249 0.31 326.2086792 0.52 327.1810608 4.26 328.3320007 0.49 330.1255493 4.96 331.1772461 15.82 332.3649902 4.08 333.1736450 2.80 334.0926208 0.70 338.3532410 0.35 339.2396851 0.31 340.1658936 0.39 342.0173340 3.72 343.3628540 1.64 345.0913696 64.51 346.1256104 31.99 347.0506592 3.68 351.3392944 0.56 352.8958740 0.37 354.2443848 0.68 355.1929932 2.45 356.0414734 0.26 357.2060547 1.35 358.0586243 1.20 359.1554260 5.52 360.1168823 100.00 361.1498413 94.82 362.2027283 10.34 364.3793945 0.11 365.2113647 0.11 366.9934998 1.36 368.1371460 1.40 369.1617432 0.52 370.1712646 4.35 371.1730957 1.37 372.5411987 0.19 373.1902466 1.96 374.2368164 0.43 375.2341919 1.26 378.2086792 0.11 382.1765747 0.93 383.2566833 0.89 385.1587219 5.36 386.2056274 1.27 388.0950928 7.67 389.2509155 0.24 390.2142944 1.03 395.2107544 0.10 396.1750488 0.59 397.3380127 1.34 398.5364990 0.66 399.4498291 1.13 400.2308960 0.28 401.1590576 0.51 402.1400146 1.99 403.1809082 23.15 404.1610718 6.60 405.2760010 0.17 408.4858398 0.37 409.2816772 1.00 410.0169678 0.64 412.0932617 1.54 413.1423340 2.06 414.9972534 4.43 415.6088257 0.49 416.3281250 0.16 423.0190430 0.45 425.2423706 0.18 426.1416016 0.14 427.2020874 3.47 428.2572021 0.49 429.2527466 0.32 431.2135620 0.53 433.0711670 6.64 437.3120728 0.13 438.2711792 0.49 443.0584106 1.01 444.1477051 0.39 444.9141235 0.28 445.5231934 0.22 447.1804199 0.23 453.3839722 0.35 454.3198853 0.81 456.1803589 1.01 461.5128174 1.12 463.5162964 0.62 464.4714966 0.16 469.1040649 1.40 470.3109741 0.60 474.3560181 0.59 475.6801147 0.63 476.3808594 0.14 478.4423828 0.34 481.2655029 0.60 482.5029907 0.16 487.2241821 0.51 491.2573853 3.28 492.1918335 1.23 503.0994263 0.60 505.2076416 0.87 506.1580200 0.67 507.1846924 0.16 508.3322754 0.27 517.3640137 0.41 518.1264648 0.37 520.0151978 2.13 520.6387329 0.55 535.2542114 41.29 536.3024292 8.43 543.2773438 0.87 546.1178589 0.18 557.3217773 0.14 558.3047485 0.12 559.1708984 0.89 575.0646973 0.28 576.3212280 0.15 577.3285522 1.09 585.2042847 0.27 591.3875732 2.54 593.3583984 0.69 595.3501587 0.54 596.3279419 0.29 604.5659790 0.33 605.2766724 0.59 606.4234009 0.71 607.1404419 0.46 608.1985474 1.14 620.1240845 0.16 621.2651978 0.15 623.3369141 2.74 624.3770752 0.38 627.1450806 0.40 631.4782104 0.33 632.5579224 0.28 634.1653442 1.15 635.4001465 1.75 636.5922241 1.83 637.4251099 0.87 639.2141724 0.25 641.4663086 1.06 642.4401245 0.10 644.4291382 0.18 649.4296875 1.17 652.1737671 8.06 653.2423706 2.58 655.3081665 7.55 656.1353760 1.26 665.3231812 1.21 666.1773071 0.59 667.2080078 47.47 668.2687378 17.41 669.9581909 3.88 671.1669922 1.72 673.3912964 0.27 678.9870605 0.53 683.1960449 0.14 685.2515259 68.12 686.2914429 17.64 687.6417847 0.29 690.2766724 0.58 693.2048950 0.80 694.5009155 0.49 695.3192749 1.72 696.3108521 1.18 697.3228149 1.21 698.9611206 0.16 699.9680786 0.54 703.2402344 0.37 726.4330444 1.30 727.4546509 1.05 728.2682495 1.21 729.3479614 0.22 730.3295898 0.38 741.6024780 0.34 742.6870117 0.36 743.5298462 0.16 746.3623047 0.50 753.4470215 1.12 757.4355469 0.74 758.2901001 0.13 759.3666382 0.57 765.8872681 0.24 767.1628418 1.67 770.5204468 0.58 771.8191528 1.75 772.9879761 1.14 774.1329956 0.76 775.1054077 0.62 781.2146606 0.69 784.0571899 0.18 785.2996216 3.58 786.1629028 1.35 787.2837524 2.54 788.2686157 0.84 790.4043579 1.09 799.4437866 8.39 800.4147339 1.39 802.2260742 36.24 803.1984863 11.24 809.2109375 0.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 418.1693 Annotation (1S,4R)-passicapsin Peak:m/z Relative Intensity 117.9844055 0.67 123.9252625 0.34 130.0050354 1.41 132.7062225 0.09 146.6536255 1.07 147.9987946 7.17 148.8200073 0.96 150.1871643 0.14 156.1221924 0.31 160.0753479 0.12 164.0573425 0.09 165.2211456 0.28 166.0654602 0.09 172.1506042 0.38 174.2786560 0.04 176.9830322 0.24 190.0249939 0.44 197.0552063 0.21 198.2489929 0.13 202.0608215 3.93 202.8691711 0.04 204.9878540 0.04 208.0478210 0.12 213.2098389 0.19 217.1364288 0.24 218.5491943 0.12 220.1411743 1.25 220.8873291 0.27 222.7260132 0.18 232.1756897 0.95 233.0092468 0.09 234.1685181 0.04 235.2880249 0.23 236.8446655 0.11 238.0947876 100.00 239.1990662 4.39 241.2028503 0.09 244.3060913 0.07 245.1714172 0.14 248.0995178 0.30 250.0303955 2.18 252.8498230 0.58 254.4906311 0.62 255.2100220 0.69 256.1689453 2.35 258.0406494 0.08 258.7290344 0.23 260.0144653 0.19 268.1939392 5.11 274.1152954 0.02 277.3038940 0.10 283.0817871 0.36 286.0117188 12.26 287.1648254 0.11 290.2322388 0.21 292.3735962 0.31 293.3296814 0.10 296.2132874 0.08 296.9186401 0.29 298.1030273 0.34 299.2299805 0.54 301.2180176 0.08 304.1411133 0.08 306.1064453 0.04 308.1439819 0.14 309.2241211 0.25 311.2636719 0.35 313.0144653 1.46 314.2188721 0.04 316.2273560 0.04 319.1141357 0.27 327.0821228 0.09 328.0142822 0.73 334.4512634 0.12 338.3627930 0.10 339.5205688 0.08 342.3231812 0.21 345.1534424 1.04 346.1907349 0.10 352.1278687 0.05 355.5247498 0.09 356.3490601 0.14 357.5975952 0.20 364.1985779 0.59 366.8110046 0.45 368.7467041 0.58 371.1278992 0.04 372.3186951 0.10 373.1201477 0.39 374.3345642 0.38 382.1109009 4.27 386.3074036 0.47 387.2193909 0.05 388.6666565 1.08 389.2973938 0.91 390.2461548 0.40 394.2507935 1.32 395.7592468 0.12 399.5304871 2.32 400.1378174 16.41 401.1362000 1.16 404.5843506 0.26 409.3345642 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 627.2458 Annotation Swietmanin D Peak:m/z Relative Intensity 265.5244141 0.04 297.2507935 0.05 299.9159546 0.08 311.5525513 0.06 341.0316772 0.06 344.1258545 0.05 359.1978149 0.03 439.5839844 0.02 443.3621216 0.03 447.2976685 0.01 455.4712524 0.09 457.5391846 0.06 465.6020508 0.02 466.4028931 0.05 473.6082153 0.10 477.0731812 0.04 499.4830933 0.06 504.4576416 0.01 505.4754639 0.14 509.2647095 0.05 510.9588623 0.04 511.5987549 0.04 521.3303833 0.09 533.3847046 0.01 538.3662720 0.05 539.3967896 0.48 548.9862061 0.02 551.4238892 0.07 553.1647949 0.03 555.2139282 0.01 564.6027222 0.03 565.7170410 0.15 566.3242798 0.03 567.6676636 0.07 571.2533569 0.04 581.4706421 0.08 583.3389893 100.00 584.0079956 0.20 585.5977783 0.03 589.6630859 0.04 591.6265259 0.10 594.2815552 0.03 595.4114380 0.10 597.4008179 0.04 604.3814087 0.03 607.1116333 0.03 609.3073120 1.39 626.1271362 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1087.498 Annotation Medicagenic acid 3-O-b-D-glucuronide 28-O-[b-D-xylosyl-(1->4)-a-L-rhamnosyl-(1->2)-a-L-arabinosyl] ester Peak:m/z Relative Intensity 437.5639343 0.34 439.4124756 0.19 455.2163696 1.58 456.4372559 0.42 467.7188721 0.49 471.7528687 0.34 483.5812378 0.93 484.3468628 0.30 485.3865967 0.49 497.7185364 0.05 501.3919067 3.98 502.2150879 0.27 527.3688354 0.11 538.2202148 0.38 550.4803467 0.26 552.3917236 0.17 556.4992676 0.28 583.7453003 0.46 596.3758545 0.27 604.6259766 0.15 625.6540527 0.15 626.4807129 0.15 647.7414551 1.84 648.7225342 0.90 677.3312378 3.88 678.6817627 1.21 749.9136353 0.94 762.3293457 0.09 763.4657593 6.22 764.5146484 4.04 775.5087280 0.53 779.6070557 1.64 789.1984863 0.41 805.5319824 0.17 809.7905273 0.17 822.5527344 0.12 836.7106934 0.21 849.7325439 0.25 883.5682373 0.44 889.7214355 0.53 894.3463135 0.25 911.5371094 100.00 912.5079346 52.03 913.1811523 0.14 925.5032959 0.54 926.3703613 1.36 927.7653809 0.09 933.4260254 0.09 942.5476074 0.85 949.3625488 0.17 953.7176514 1.27 955.4470215 0.11 957.6939697 0.09 964.7536621 0.25 968.4879150 0.39 985.5229492 0.22 986.4893799 0.19 998.5485840 0.52 999.6641846 1.51 1001.6647950 0.52 1007.6586910 0.26 1008.6607670 0.32 1009.4912110 0.59 1010.5971680 0.52 1025.0739750 0.38 1025.7088620 0.16 1027.8731690 0.31 1042.5021970 0.58 1043.1682130 0.11 1044.5102540 1.16 1053.6123050 0.21 1069.4610600 1.23 1070.6459960 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 513.146 Annotation Unknow Peak:m/z Relative Intensity 157.2705688 0.19 173.0436859 0.10 174.9977112 1.18 189.0093689 2.99 207.0972900 5.16 217.1062317 0.13 244.8927002 0.19 247.2952881 0.41 249.1823120 0.77 257.3614197 0.08 262.9515991 0.05 289.0881653 0.25 291.2050171 0.67 304.1296387 0.38 306.8840332 0.06 317.1063232 0.52 321.0193481 12.31 322.2420044 0.06 331.0538330 0.26 337.2332153 0.05 339.0431519 0.10 342.9888306 0.10 349.5489502 0.39 358.9877319 0.42 363.1407471 1.88 365.1673584 1.10 375.1829834 0.24 381.2157593 21.52 390.9818115 0.07 393.3084106 1.02 394.8307495 0.14 403.2684937 1.66 411.3144531 0.45 421.0426636 0.78 423.3491211 0.33 425.5766602 0.05 435.2139282 16.01 439.2435303 0.33 453.1724243 100.00 453.8417969 0.13 467.2438965 0.39 469.1105347 0.14 471.2178955 10.99 479.1460571 0.24 481.3822632 0.15 483.2271118 0.25 494.3375854 0.08 495.1334229 0.62 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 308.0901 Annotation Glutathione Peak:m/z Relative Intensity 94.9403839 0.11 107.7670975 0.04 108.9894104 0.21 115.9587173 0.73 116.9163055 0.26 117.9468231 1.16 121.1273193 0.17 127.0730743 0.07 129.9480591 0.23 131.3372955 0.07 140.9787903 0.06 143.8835754 0.95 144.8191223 0.79 145.8581543 1.99 148.1681366 0.04 152.1082611 0.05 161.9480591 7.68 162.9608307 8.69 163.9313354 25.36 165.1208191 0.07 170.3019714 0.03 173.9995422 0.05 179.0106354 33.67 180.0282135 31.64 180.9744568 100.00 188.0882263 0.04 188.9502869 0.04 207.1735840 0.09 213.2416687 0.06 215.3781433 0.03 216.0789490 0.07 217.2041016 0.86 218.0079041 0.09 223.0943909 0.02 233.1528625 4.06 234.0581665 7.51 235.0365601 19.40 238.7169189 0.02 244.0505676 0.05 245.3091736 0.28 246.3897095 0.47 247.1296692 0.37 252.3720093 0.04 265.2128601 0.09 272.3533020 0.48 273.2504578 0.36 274.1490479 1.49 281.2354736 0.10 291.0883179 4.27 292.0870972 7.29 293.1184692 2.11 295.2253418 0.07 309.4912415 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 483.1541 Annotation Unknow Peak:m/z Relative Intensity 155.2467804 0.06 157.2305756 0.29 168.9944458 0.30 173.7958832 0.11 178.0633392 0.17 179.0630035 0.10 197.3031006 0.19 205.1794281 0.15 209.1918335 0.15 223.1273956 0.23 231.3829651 0.13 241.0464783 20.57 242.1318817 1.45 249.4813232 0.16 257.0098572 9.56 259.0208130 35.76 260.2023010 1.08 299.2135925 5.92 301.1632690 2.14 302.1973572 0.10 312.2633057 0.06 315.1744385 0.25 321.2363892 0.46 329.1796875 2.89 330.2270508 0.27 331.0285645 0.32 337.0024414 0.12 339.2445679 0.29 343.3289185 0.19 351.1817932 0.08 361.3328247 0.50 382.3295288 0.09 385.3239136 0.13 393.1569824 0.38 399.2743835 0.97 400.0192566 0.33 405.1953430 0.44 407.4756775 0.79 409.3319397 2.10 415.8891296 0.98 421.3147278 1.54 423.3642883 7.83 425.2707214 1.36 427.3453674 0.24 437.2872925 9.01 438.4235535 1.59 439.3280029 8.25 440.2265015 1.41 445.2608032 0.13 447.4792175 0.11 451.4059143 2.18 453.3072510 10.48 455.2685852 100.00 456.3239441 15.48 460.6434021 0.49 464.2605591 0.38 465.3547058 14.22 466.3771667 0.85 468.2976379 1.80 469.4358826 0.10 483.3920593 0.55 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 227 Annotation Thiolutin Peak:m/z Relative Intensity 72.9637680 0.03 84.9409866 1.28 88.9674835 0.15 98.9188995 3.10 101.1085358 0.15 110.8579865 1.36 128.9494476 2.30 140.0742035 0.05 151.0236359 0.09 154.9552612 0.40 165.0196991 0.02 167.0798492 0.09 168.3930511 0.07 171.3060455 0.37 172.9325256 64.96 175.8879089 0.10 179.6247101 0.29 181.1006012 0.53 182.0724640 0.02 183.1712952 0.28 188.3190155 0.16 190.2368622 9.70 190.9129486 100.00 198.9347229 0.12 208.9892426 56.53 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 668.2792 Annotation Unknow Peak:m/z Relative Intensity 233.0373993 0.02 278.3461304 0.01 360.0957031 0.02 412.1399536 0.03 412.8577881 0.09 440.3765869 0.02 474.4450684 0.01 492.4446411 0.02 518.3235474 0.02 530.3094482 0.03 534.3196411 0.04 549.4385376 0.03 571.2754517 1.09 571.8839111 0.08 586.2620850 0.07 594.3322754 1.48 605.4932861 0.05 606.5374146 0.20 615.3812256 0.29 615.9981079 0.06 624.4190063 1.41 636.2843628 28.32 636.9002075 1.11 637.8202515 0.08 638.6635132 0.05 639.7521362 0.08 641.1911011 0.02 645.3235474 100.00 646.4584351 0.48 647.6259155 0.41 648.4746094 0.08 650.0218506 0.13 807.2351685 0.15 825.5377808 0.07 893.2709961 0.06 1081.3817140 0.04 1083.6727290 0.06 1141.7949220 0.15 1195.3577880 0.01 1213.5914310 0.38 1214.4744870 0.33 1231.4099120 0.05 1273.6046140 0.10 1274.5126950 0.12 1292.6364750 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 618.43 Annotation Unknow Peak:m/z Relative Intensity 173.1199188 0.44 175.2149811 0.51 177.1281586 0.23 177.9127808 0.37 179.0394287 0.73 181.0265808 2.94 182.1311951 0.30 183.1005402 0.92 185.0986938 0.23 189.1032867 1.51 190.0003510 0.55 191.1320496 1.19 192.2008057 0.26 193.0833740 1.38 194.0640564 0.14 195.1296234 1.51 196.1686859 0.37 197.2300110 2.20 199.2027435 0.75 200.0744019 0.17 201.1791687 0.26 202.3431091 0.83 203.0535278 1.43 204.2019806 0.44 205.0816040 0.44 206.4073181 1.08 207.1591644 5.35 208.1889343 1.53 209.2044067 6.43 210.1416168 0.50 211.1244354 2.97 212.1481781 0.20 213.1393738 0.80 214.9169617 0.45 216.1218567 0.32 217.0059967 0.29 218.1224365 0.22 219.0634460 0.63 219.9736633 0.67 221.1622925 22.00 222.1541138 2.94 223.1177368 3.12 224.5255890 1.84 225.1840820 7.98 226.3055878 1.18 227.1857758 0.49 227.8500061 0.22 229.2342377 0.21 231.3770142 0.72 232.1945801 0.50 233.1731110 4.04 234.1883545 2.59 235.1260834 1.90 236.1779938 0.37 237.1653748 3.23 238.2720337 0.70 239.3175201 0.83 240.4212494 0.34 243.0396729 0.81 245.4245911 1.85 246.6009064 1.43 247.2486572 3.57 248.0870667 0.07 249.3435211 2.77 250.1959991 1.15 251.0926208 1.53 252.2402191 0.32 253.3455811 0.26 253.9893646 0.16 255.2294312 1.13 257.0851440 1.16 259.4123840 0.26 260.2700195 0.24 261.2308044 1.19 262.2398071 0.98 263.1546936 3.11 264.0674133 0.14 265.2239380 1.49 266.6204834 0.23 267.2687988 0.80 269.2741699 1.39 270.3653259 0.12 271.1191406 0.56 272.2306213 0.27 273.2669678 2.26 275.4534302 1.59 276.3215942 0.14 277.1869507 2.11 278.1211853 0.70 279.1586304 1.04 280.2921753 1.32 281.2208252 0.94 282.2988586 0.14 283.2735596 1.48 285.2669067 2.35 286.3033447 1.85 287.2232666 3.45 288.1261902 1.39 289.1696167 1.70 290.3970337 0.54 291.5685425 0.56 292.3739014 0.35 293.2040405 0.49 294.1469727 1.11 295.1670532 0.67 297.2363892 1.09 298.2483215 0.77 299.2321167 7.21 300.1838379 0.63 301.2553101 1.66 302.3323364 0.33 303.3629150 0.90 304.9620361 0.31 307.1478577 0.65 308.1826782 0.16 310.5097656 2.28 311.4078979 2.33 312.7409668 2.94 313.5140381 0.45 314.4698792 0.66 315.2973633 1.32 317.4360657 0.33 319.2557373 1.51 320.1289062 0.91 321.3382874 0.22 323.4810791 1.20 324.2862549 0.29 325.3029175 6.66 326.2205200 0.11 327.2639160 1.44 328.1644287 0.15 329.3211365 0.90 330.1161499 0.32 331.5021973 1.40 332.3340454 0.38 333.3280029 0.72 334.2044678 1.08 335.3619995 0.62 336.6965942 0.74 337.5398560 1.35 338.4130859 0.34 339.6981812 1.26 340.4852905 0.39 341.4274902 0.36 342.4042969 0.96 343.3901367 0.56 345.3275757 0.07 346.3771973 0.14 347.3493042 0.81 348.1483154 0.47 349.3563843 1.39 350.4042969 0.57 351.7094116 2.93 352.3710938 42.29 353.2560425 1.79 355.3460083 1.02 357.4572754 1.21 358.0657959 0.18 359.3431396 2.88 360.4544678 2.05 361.5413818 0.51 363.3760986 2.81 364.2174072 2.56 365.3982544 4.50 366.6691895 0.81 367.3444214 0.55 369.5258179 0.51 371.2788086 0.35 372.2611084 0.60 373.2758179 0.54 374.2789917 0.78 375.2402344 0.66 376.2218018 0.61 377.2750854 3.27 378.3950806 2.71 379.5890503 0.96 380.3792725 0.46 381.2845459 0.26 382.6301880 0.69 383.2651367 0.42 383.9346924 0.07 385.5159912 0.45 387.3526611 2.26 388.4156494 1.55 389.3253784 6.32 390.3596191 1.31 391.3432007 6.05 392.3817139 2.73 393.3670654 1.01 394.4655762 1.67 395.5126953 1.44 396.3218994 0.07 397.4181519 0.17 398.3696289 0.24 399.1492310 0.34 400.1265869 0.24 401.3308105 1.36 403.4800415 0.18 405.5458984 0.12 406.7754517 1.26 407.5466309 1.44 408.4754639 0.78 409.3458862 4.12 410.2667847 1.77 411.1912842 0.86 412.1849365 0.17 413.4401855 2.70 414.9168091 1.29 415.6848145 0.48 416.3778687 0.24 417.4379272 1.71 418.7388916 0.40 419.3843384 1.77 420.4598389 0.19 421.9389648 0.94 423.3767090 0.14 425.5257568 2.04 426.4842529 0.27 427.2260742 0.09 428.4451904 1.43 429.4552002 1.09 431.4443359 4.10 432.3416748 2.08 433.5253906 0.56 434.2262573 0.23 435.5066528 0.15 436.4556274 0.66 437.4514771 2.09 438.3268433 1.52 439.2293701 0.61 441.3518066 3.58 442.4815063 1.35 443.3321533 1.56 444.2556763 0.63 445.4821777 2.13 446.4216309 3.57 447.4461670 0.36 449.3617554 0.80 452.1781006 0.66 453.4976807 0.14 455.3493652 0.95 456.3335571 0.45 457.4670410 1.42 459.4003906 1.78 460.4804077 0.43 461.2563477 1.03 462.4652710 0.28 463.4083252 0.70 464.3865356 0.62 470.1329956 0.51 472.3453979 23.62 473.4531250 0.32 475.5397949 0.29 476.5991821 0.42 477.3145752 0.64 480.4522705 0.19 481.3848877 3.58 482.4757080 0.95 483.3695068 0.08 486.2406616 0.59 487.1823120 0.16 488.4432983 0.09 489.9749146 1.40 490.8107910 0.11 493.5643311 0.68 494.4771729 0.06 495.4031372 0.50 498.2551270 0.71 499.4874878 1.71 500.4785767 0.89 503.4117432 0.20 504.0268555 0.56 505.4111328 0.76 506.3355103 0.31 507.7180176 2.91 508.6558228 2.62 510.1094360 0.55 511.3074341 3.78 512.3135376 1.73 513.7894897 0.56 515.8449707 1.32 516.7188110 1.72 517.4738159 0.46 518.8358154 0.07 519.5287476 0.84 520.4535522 0.21 521.6115723 0.22 523.3101807 0.54 525.4235229 100.00 526.3979492 31.37 527.0584106 0.27 530.4727173 0.11 531.4896240 0.31 532.9246216 0.12 533.6207886 0.29 536.0874023 0.23 538.4624634 84.98 539.4312744 0.53 540.7982788 0.28 541.4124756 0.22 542.2684937 0.42 543.4436646 3.06 544.5424805 0.18 545.4222412 0.22 546.9567871 0.99 549.3308716 2.86 551.3620605 0.26 553.6295776 1.18 554.5864868 0.19 555.6577759 0.29 558.2194214 0.96 559.1442261 2.68 560.4385986 2.93 561.4807129 1.05 563.0301514 1.50 563.6578979 2.93 564.5671997 2.74 565.2087402 0.24 567.4934692 0.69 571.3818970 0.12 572.5303345 0.62 575.2258301 0.09 581.4869385 10.75 582.5324707 8.79 584.2527466 0.25 585.3688354 1.25 588.1122437 0.31 589.0269165 0.31 590.7824097 0.93 599.4753418 66.97 600.4136963 59.81 601.5480957 1.03 602.3781128 0.14 603.4207764 1.75 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1249.5455 Annotation Unknow Peak:m/z Relative Intensity 363.3732910 0.39 392.7465820 0.27 405.2867432 0.27 407.4602966 2.15 408.1825562 0.56 420.6085205 0.28 423.5524902 1.07 424.4635620 4.57 435.4366455 5.04 437.0842896 2.30 437.8459473 1.83 447.3724976 0.75 453.3389282 2.22 463.1663208 1.30 471.4110107 0.69 481.3862610 6.74 482.4418335 9.14 483.4626770 0.54 499.4344788 47.19 500.3722229 49.02 501.5263367 7.13 517.4187622 3.44 518.4100342 1.27 642.3326416 0.23 808.4417725 3.62 825.4082642 5.00 826.4510498 4.25 827.3778076 0.84 864.4604492 0.24 912.5667725 0.54 941.5816650 34.19 942.4888916 100.00 943.4786377 20.29 1074.2844240 0.15 1083.8735350 0.38 1100.7316890 0.20 1118.6378170 2.09 1146.5366210 0.40 1147.5214840 0.61 1165.4846190 0.67 1188.6650390 0.61 1220.2507320 0.79 1232.1970210 0.39 1233.6097410 0.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 77.22119141 0.24 91.91348267 0.34 92.98750305 0.10 96.09942627 0.07 102.9108582 0.77 103.8327637 0.45 104.9411621 0.61 107.1347351 0.11 107.9520874 0.40 109.1115723 0.12 118.98349 0.25 120.1125336 0.30 122.9349213 0.11 128.9192505 1.47 130.0037079 1.56 141.9630127 0.78 143.9949493 0.23 144.9244232 0.16 147.2726288 0.41 150.9279633 21.31 152.0189667 15.21 153.0632935 0.87 154.3663483 0.21 155.1358337 0.58 156.0866699 0.38 165.9346161 0.45 167.3990631 0.75 168.0490417 1.60 168.914032 0.08 170.0914612 0.58 171.3265228 0.17 172.1260834 0.22 177.126297 0.07 178.3894043 0.26 180.1127777 1.04 182.0144348 0.26 183.0842743 0.56 184.1186981 0.08 184.9859314 0.47 186.2371063 0.44 188.1198273 0.14 191.2813416 0.18 193.8755188 0.16 196.9526215 1.77 198.1418457 1.05 199.2803345 0.48 208.2553406 0.32 211.1744537 0.91 212.1986542 0.88 226.1086426 3.88 235.3670654 0.07 236.1717987 1.38 238.0875397 3.21 239.0717316 6.15 240.1652985 0.48 251.1542206 0.65 251.9291992 0.11 253.0934906 100.00 254.1620483 37.60 255.2712555 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1303.5621 Annotation Taxchin A Peak:m/z Relative Intensity 437.8239136 0.06 455.4302979 0.24 603.7078247 0.08 783.4759521 0.17 893.1026611 0.21 951.5104980 0.10 955.3060303 0.07 995.6477051 1.69 997.6218262 18.42 1011.9869380 0.04 1075.3028560 0.08 1111.3538820 0.07 1128.1684570 0.04 1155.5434570 0.30 1170.4875490 0.19 1173.4829100 100.00 1174.2507320 0.08 1201.4748540 0.59 1243.1960450 0.27 1256.7822270 0.04 1267.7556150 0.05 1285.3955080 4.82 1286.0032960 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 414.3568 Annotation Heptadecanoyl carnitine Peak:m/z Relative Intensity 118.9852295 0.21 120.8430634 0.18 123.1634674 0.10 128.1693726 0.11 128.9630127 0.07 131.9710693 17.99 134.8396149 0.11 136.9542542 0.04 145.2793274 0.08 146.9130249 0.05 148.0963440 0.71 149.1279755 0.08 150.0742035 0.74 155.1099091 0.42 161.1677551 0.50 173.1495056 0.10 174.1944275 0.10 175.0531006 0.10 177.0824280 0.81 183.7024841 0.08 185.0427246 0.25 187.4776917 0.58 188.2554626 0.35 189.0617371 0.29 191.9403381 0.16 199.3488007 0.16 202.3862457 0.15 207.4089050 0.39 213.0253296 0.10 220.0090027 0.23 221.2930450 0.49 222.1400146 0.68 225.4411621 0.36 228.2711792 0.17 229.2941895 0.08 230.1353149 0.15 234.0623779 0.31 235.3064575 0.16 236.8576965 0.23 239.1712341 0.17 243.5107422 0.15 246.0892029 0.13 251.0849609 0.17 252.0229187 0.08 257.5017090 0.28 259.2525940 0.30 261.2453918 0.06 266.2759399 0.15 269.2883301 0.43 270.2315369 0.22 273.2444458 0.51 281.4443359 1.02 283.2153931 0.49 284.6104736 0.17 285.5838623 0.07 287.2822876 0.22 291.6450195 0.14 297.4086304 0.60 298.2301331 0.14 309.3508911 100.00 310.9443665 0.16 312.4796753 0.69 313.2073364 0.46 315.1957703 0.29 316.5473328 0.18 319.3464355 0.12 320.5039062 0.48 321.2198486 0.34 323.4210205 0.75 324.2123413 1.37 326.0642090 0.45 328.5290833 0.37 329.3099976 0.14 332.2246704 0.22 333.2434692 0.17 336.3843384 0.06 337.3898621 0.16 340.0069275 0.62 340.7643433 0.21 342.2758179 0.19 343.1368408 0.10 345.3391724 0.34 347.3349304 0.14 350.0760498 0.08 352.6951599 0.21 353.3483276 0.07 354.4360962 1.00 355.5208435 0.18 356.2794495 0.14 360.6264343 0.21 368.8832092 1.26 369.6370544 0.18 371.6163635 0.34 373.2211609 0.77 378.4608459 0.69 379.4010010 0.38 382.6089783 0.74 386.3392639 0.70 395.7116394 4.72 396.5041809 9.44 397.2118835 1.72 399.3070679 0.20 399.9203186 0.15 404.8894958 0.53 415.6202087 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1277.234 Annotation Unknow Peak:m/z Relative Intensity 398.2431946 0.71 408.2069702 0.24 414.3608398 0.28 417.4778137 0.51 428.0135498 0.52 448.2244873 0.39 452.3911133 0.65 453.7659912 0.11 459.3500671 0.33 489.1226807 0.37 490.2111511 0.28 493.3489380 0.15 517.4243164 0.37 521.2744141 0.38 532.3464355 0.21 563.4049072 0.70 565.6034546 1.12 572.1939697 0.98 575.9707031 0.18 593.6707153 0.52 608.3742676 0.20 628.2812500 0.34 629.6390381 0.30 641.3585815 0.28 646.4158325 0.31 658.3797607 0.75 666.3066406 0.46 669.6614990 0.49 670.4228516 0.32 683.6145020 0.24 689.2786865 0.12 692.6469727 0.21 698.4926758 0.15 699.4049683 0.18 709.5417480 0.32 714.3189697 0.84 724.7783813 0.44 731.5910034 0.63 740.7631836 0.66 741.7739258 0.47 748.0009766 0.32 758.3945312 0.11 759.4172974 0.17 767.0460205 0.62 776.7851562 0.28 779.5030518 0.29 791.9237061 0.45 797.4375000 0.40 800.6580811 0.47 809.8535767 0.21 811.2812500 0.68 813.3168335 0.30 822.8751831 0.34 827.8552856 0.99 828.6710205 0.37 830.5642700 0.43 839.6641235 7.40 840.6762695 0.62 841.4088745 0.64 844.8957520 0.72 846.7532349 0.31 859.4332275 0.18 872.6499023 1.15 887.4920654 0.37 889.2443848 0.25 900.7453613 0.42 903.0588379 0.21 908.8641357 1.26 921.7456055 0.36 944.6386719 0.28 953.1400146 0.21 955.8951416 0.39 970.6343994 0.16 974.7415771 1.34 976.6956787 1.22 977.7452393 0.17 988.7840576 0.56 991.3255615 0.94 994.7465820 0.28 1002.5587160 0.25 1020.7448730 0.77 1022.4625240 1.64 1024.8907470 0.56 1028.8107910 1.27 1031.5933840 0.14 1033.0073240 1.20 1034.4737550 0.52 1042.3869630 1.66 1045.7470700 0.47 1046.7207030 0.54 1055.8706050 0.41 1057.9233400 1.84 1060.8786620 2.00 1062.7172850 0.12 1066.2655030 0.16 1067.6495360 1.36 1068.3210450 1.76 1069.9523930 0.43 1071.5451660 0.16 1073.9226070 1.62 1079.0004880 1.03 1082.5260010 0.97 1083.6408690 3.03 1085.0233150 0.44 1086.0600590 2.64 1087.3989260 1.77 1089.0023190 1.85 1089.9787600 1.06 1091.4880370 1.93 1094.6525880 1.17 1095.2772220 0.71 1096.3153080 0.50 1101.6507570 2.64 1103.0900880 2.31 1104.6583250 0.96 1105.7321780 1.81 1108.1977540 2.85 1108.8605960 1.08 1111.7763670 1.72 1114.0429690 1.79 1115.6564940 2.47 1117.8249510 1.14 1119.0861820 2.31 1120.3331300 1.48 1121.3261720 1.42 1122.1802980 1.66 1128.1929930 2.44 1129.1250000 1.32 1129.7651370 0.95 1131.8104250 1.81 1133.4272460 0.61 1135.0382080 1.17 1135.8981930 2.00 1139.4995120 0.80 1141.2612300 1.13 1143.0620120 0.34 1143.7189940 0.84 1145.6074220 1.36 1146.2869870 3.87 1147.4729000 7.74 1148.6351320 3.13 1150.1699220 3.42 1151.7678220 5.30 1153.1015620 0.83 1154.1590580 1.14 1157.5163570 2.75 1158.7454830 3.22 1159.9824220 4.16 1160.6282960 4.17 1161.4765620 3.81 1162.4075930 2.29 1163.6456300 4.08 1165.0429690 0.73 1166.4949950 1.47 1167.5893550 1.59 1168.5366210 1.01 1169.3216550 2.06 1170.0529790 0.32 1170.8823240 0.42 1172.6828610 6.92 1173.4824220 1.58 1174.5639650 6.73 1176.0433350 1.57 1177.1762700 1.58 1178.3953860 4.05 1180.0124510 5.90 1180.8630370 2.69 1181.6059570 4.97 1184.0566410 8.57 1184.9375000 9.20 1185.8302000 2.96 1186.9033200 5.02 1188.1365970 0.69 1190.2348630 24.25 1191.0539550 3.00 1192.1893310 6.90 1193.5032960 6.09 1194.6174320 3.26 1196.1562500 100.00 1196.8417970 6.30 1197.6875000 4.47 1198.6395260 1.54 1199.5030520 8.64 1200.2520750 3.05 1201.3586430 1.03 1202.5108640 2.68 1204.3271480 1.67 1205.9354250 2.57 1206.5676270 3.11 1207.3773190 3.56 1208.2048340 2.51 1210.2509770 0.87 1210.9892580 6.77 1211.8239750 1.66 1212.6926270 1.77 1213.5788570 9.63 1214.4753420 1.37 1215.8237300 0.68 1216.8122560 13.93 1217.9968260 3.67 1219.4006350 6.76 1221.3181150 1.19 1222.8613280 56.02 1223.8531490 7.50 1224.9785160 3.22 1225.6151120 0.56 1226.4270020 1.98 1228.3482670 20.75 1229.1773680 28.63 1230.0329590 0.44 1230.7783200 0.81 1231.7445070 1.97 1232.8514400 5.86 1233.8146970 18.59 1234.7412110 20.68 1235.7139890 4.83 1237.2814940 3.92 1238.3319090 17.99 1239.3787840 18.71 1240.1799320 9.96 1241.0715330 0.47 1242.3988040 3.20 1243.4427490 2.94 1244.1848140 11.93 1245.0800780 2.34 1245.8513180 2.36 1248.0064700 2.28 1248.8500980 1.54 1250.1831050 3.84 1250.9892580 10.32 1251.8834230 2.87 1252.6628420 1.34 1253.5096440 2.22 1254.1968990 4.20 1255.3964840 10.40 1256.5544430 38.44 1257.4433590 3.31 1258.3942870 1.23 1259.6700440 28.86 1260.3962400 13.01 1261.5847170 7.42 1262.2603760 59.11 1263.1113280 5.01 1263.8024900 0.48 1265.5935060 56.78 1266.4119870 2.45 1267.1650390 0.85 1268.0063480 1.72 1269.0896000 1.17 1272.2589110 0.15 1274.1916500 0.17 1281.1701660 0.84 1289.5472410 1.60 1295.6419680 0.29 1300.6065670 0.16 1311.4071040 1.68 1317.5201420 0.31 1326.4874270 0.57 1332.5458980 0.93 1337.6201170 0.87 1340.8167720 0.55 1341.5092770 0.59 1345.9824220 0.19 1347.0174560 0.94 1347.6760250 2.41 1348.3010250 0.33 1350.5258790 0.59 1353.2004390 0.48 1355.0949710 0.35 1356.3093260 3.22 1360.9382320 1.08 1363.3356930 0.16 1364.2589110 0.47 1369.5726320 0.51 1370.1968990 0.76 1370.8660890 1.04 1371.5103760 1.49 1373.7708740 1.06 1374.7884520 1.16 1379.3226320 2.90 1388.7918700 3.08 1389.6132810 1.07 1395.0928960 0.35 1396.8753660 1.65 1397.5601810 0.77 1402.5050050 0.36 1404.1379390 1.56 1406.3046880 1.73 1410.9619140 0.26 1412.2666020 0.36 1413.1523440 0.41 1418.9198000 2.02 1421.1605220 1.26 1422.2492680 0.20 1423.2385250 1.32 1424.5927730 0.58 1430.5562740 1.15 1433.1041260 2.77 1435.1202390 1.78 1437.6550290 0.13 1439.4305420 3.19 1441.6192630 1.05 1444.1431880 1.41 1447.5671390 0.76 1450.7077640 0.28 1453.8897710 0.56 1460.9611820 1.23 1462.1046140 0.33 1463.8863530 1.27 1464.6317140 1.51 1466.6123050 0.18 1469.3326420 0.82 1470.7227780 0.14 1471.8795170 0.21 1473.5303960 1.63 1477.3690190 2.57 1478.2390140 1.00 1478.8800050 2.12 1480.8854980 0.17 1482.2884520 0.13 1485.0833740 1.45 1486.3381350 0.77 1487.3793950 4.98 1488.1214600 1.52 1491.3333740 0.14 1493.1123050 1.65 1495.3748780 2.32 1496.0046390 1.26 1497.0203860 1.29 1499.0302730 1.02 1500.5915530 0.60 1502.5045170 0.35 1507.0000000 3.25 1507.6777340 0.80 1509.8730470 0.80 1517.4133300 0.59 1522.2200930 0.70 1524.3114010 1.40 1530.8117680 0.20 1532.7243650 0.34 1534.3060300 0.44 1535.9042970 0.21 1537.0418700 1.04 1541.1014400 0.77 1542.3355710 0.98 1544.3752440 0.76 1545.8294680 0.46 1546.5681150 1.23 1548.9969480 1.40 1550.4481200 2.36 1551.2435300 0.19 1558.6287840 0.75 1559.4923100 1.61 1560.2478030 0.39 1563.3781740 2.77 1567.4530030 0.67 1571.6522220 1.57 1572.5937500 1.69 1577.9049070 1.13 1580.2073970 0.63 1583.2192380 1.31 1586.3698730 0.69 1588.1361080 3.12 1590.0736080 0.42 1592.4072270 1.87 1595.2739260 0.49 1599.1121830 0.60 1601.1972660 0.54 1601.8243410 0.37 1606.3824460 1.14 1607.8088380 0.75 1610.1534420 0.42 1611.0560300 1.64 1614.1524660 0.31 1617.0002440 0.87 1619.3116460 1.57 1619.9753420 0.68 1624.1169430 0.98 1625.2409670 0.79 1627.2354740 1.16 1628.3580320 2.67 1629.2733150 0.96 1630.6446530 0.47 1631.5955810 0.46 1633.0223390 1.17 1635.0035400 4.27 1637.3696290 0.15 1638.4084470 0.32 1639.6475830 0.91 1641.7834470 0.41 1643.7341310 1.73 1645.4656980 0.67 1647.4284670 0.60 1649.1832280 2.30 1650.1199950 0.49 1651.5123290 7.19 1652.6698000 2.72 1653.7670900 1.33 1656.4686280 2.32 1657.2208250 0.49 1657.8894040 0.27 1659.0950930 3.08 1662.2349850 0.61 1662.9885250 1.12 1667.9140620 1.01 1668.9635010 0.70 1672.6688230 1.20 1673.4105220 0.59 1674.3673100 0.41 1675.4133300 0.76 1676.6428220 3.64 1677.4559330 1.28 1679.3590090 0.39 1680.4913330 1.55 1681.8051760 1.32 1682.5261230 1.08 1683.2872310 0.85 1684.4592290 0.76 1685.6544190 0.76 1687.7535400 0.89 1689.8845210 1.02 1691.3302000 1.04 1694.0738530 1.71 1695.1326900 10.55 1695.9888920 1.28 1697.5115970 0.48 1700.5792240 1.41 1702.1571040 1.02 1706.7728270 0.28 1707.9328610 3.04 1709.5202640 0.61 1712.5467530 0.88 1713.8356930 0.36 1714.8762210 0.71 1716.0290530 0.29 1717.2542720 1.75 1718.8970950 2.40 1720.4635010 1.63 1721.3287350 2.93 1722.4136960 1.87 1723.4696040 1.27 1724.8594970 2.02 1726.0280760 3.23 1727.7108150 0.64 1728.3519290 1.05 1729.6119380 5.43 1730.2564700 6.62 1731.7010500 0.13 1732.5290530 1.95 1734.8236080 1.82 1735.9217530 1.28 1737.1585690 1.43 1739.8612060 2.59 1740.7315670 0.85 1741.3826900 0.98 1741.9914550 1.13 1744.0841060 0.32 1744.7174070 1.11 1745.4595950 0.95 1746.0972900 0.63 1746.8830570 0.20 1748.3664550 0.14 1749.4508060 2.36 1750.3990480 0.36 1751.7969970 2.19 1752.8304440 1.39 1754.0017090 0.31 1754.7611080 0.65 1758.0057370 0.38 1761.5314940 0.19 1763.1463620 1.43 1766.5260010 1.36 1767.5549320 0.87 1768.5389400 1.12 1770.0178220 0.42 1771.9417720 2.22 1773.8594970 2.92 1775.3850100 1.67 1777.0266110 0.89 1779.1903080 0.13 1780.4528810 0.51 1781.4249270 3.62 1782.2132570 0.28 1783.4934080 1.11 1784.8682860 2.55 1786.3669430 1.75 1789.5671390 15.84 1790.3869630 3.60 1791.1217040 0.83 1794.6427000 1.11 1798.6217040 12.14 1799.6193850 1.74 1800.9600830 0.54 1802.2292480 1.89 1802.9597170 0.31 1804.5104980 0.13 1805.5985110 0.94 1807.7069090 2.05 1808.5985110 1.00 1810.3424070 0.84 1812.0682370 0.18 1814.9768070 1.19 1816.4805910 1.18 1820.1614990 0.65 1820.7635500 0.96 1824.5321040 1.17 1825.2247310 1.82 1829.4168700 0.35 1830.3475340 0.92 1832.6437990 0.59 1833.6073000 7.48 1834.3625490 2.98 1836.0271000 0.92 1837.3966060 1.32 1838.8731690 1.07 1840.8190920 0.26 1842.5347900 5.40 1843.2342530 3.08 1845.1749270 1.29 1846.6989750 1.15 1848.7169190 1.43 1850.4847410 1.22 1854.6239010 1.00 1856.7507320 0.57 1858.1134030 4.49 1859.2515870 0.67 1890.5872800 0.31 1896.9166260 0.18 1904.9328610 0.23 1938.6727290 0.52 1950.0286870 0.31 1972.0545650 0.20 1974.1794430 0.75 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 693.2769 Annotation Unknow Peak:m/z Relative Intensity 249.1357117 0.05 250.2808533 0.05 267.0825195 0.29 273.1250610 0.02 274.2175903 0.05 276.2195435 0.07 277.1410217 0.14 281.2315674 0.07 293.1085815 0.04 301.2720032 0.07 303.2219849 0.60 304.2121582 0.10 306.2603455 0.05 317.2037048 0.07 319.3905640 0.23 321.3520508 0.03 323.3086548 0.06 325.2359619 0.20 335.2523804 0.35 336.1303711 0.44 337.2079773 0.38 342.2100220 0.06 350.3919067 0.17 355.2156982 12.51 355.8411865 0.06 357.3330688 0.29 371.2403564 0.06 385.4677124 0.04 393.4620361 0.03 409.0783691 0.04 411.4042358 0.13 415.3840942 0.02 416.0551147 0.03 420.0576172 0.07 436.4364624 0.07 442.2059326 0.23 443.5015869 0.03 445.6207275 0.07 450.4741821 0.09 452.5996704 0.48 457.0951538 0.13 459.2548218 0.04 464.2048950 0.34 468.4241333 0.03 469.8323975 0.19 476.5172119 0.04 478.2468872 0.16 481.6062622 0.04 482.4162598 0.03 485.8180542 0.06 487.1024170 0.09 489.3342896 0.15 492.3676758 0.84 494.6335449 0.04 495.4318237 0.08 499.5153198 0.06 504.5120850 0.06 512.2822266 0.09 513.3530273 1.14 514.4127808 0.10 517.1510620 0.05 519.2558594 0.11 522.8869629 0.19 524.2642822 7.48 525.6369629 0.14 529.4677124 0.03 530.6472778 0.92 531.3425903 0.50 536.4216309 0.48 546.3934326 0.18 557.2642212 0.57 561.3933105 0.81 566.3845825 0.04 567.2684326 0.08 570.4522095 0.05 571.6651001 0.09 572.9945068 0.49 573.6236572 0.23 574.5632935 0.09 583.5111694 0.37 584.3141479 0.09 588.2252808 0.04 589.3179321 1.01 595.2530518 0.02 596.4715576 0.08 598.3245239 0.28 599.3162231 0.27 601.3126831 26.43 602.0429688 0.21 602.9021606 0.13 610.8082886 0.05 612.6020508 0.18 613.3344727 0.60 615.3087769 2.04 616.5034180 0.22 617.4507446 0.78 621.4673462 0.25 628.3009033 0.07 629.2614136 0.29 630.3414917 0.15 631.0855713 0.32 633.2528076 100.00 633.9273071 0.37 641.5642700 0.03 642.4916382 0.76 643.4042358 4.30 646.3958740 0.23 647.5488892 0.27 648.9152222 0.55 649.5711060 0.34 654.7250366 0.22 655.3672485 0.13 656.5985718 0.61 657.2562256 0.34 660.8080444 7.11 661.4727173 26.23 662.1880493 0.04 663.5942993 0.19 669.1652222 0.35 670.4598999 0.20 673.2194214 0.09 674.4082642 2.67 675.2869263 18.11 675.9596558 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 767.2626 Annotation Unknow Peak:m/z Relative Intensity 223.1077728 1.57 231.0863190 1.04 247.2589722 0.09 249.0443268 5.09 250.4834595 0.05 267.1741333 27.76 283.4581299 0.09 291.2496338 0.63 309.1833496 4.53 311.1602783 0.20 313.1702576 0.08 323.2630005 0.42 324.2721558 0.30 339.5078125 0.37 341.2269897 0.12 363.4964294 0.34 369.3636169 0.09 371.1619873 2.30 372.2537842 1.47 373.2979736 0.06 375.2149048 0.36 391.2984619 0.15 429.0686035 0.23 437.2210083 0.48 455.3035889 6.15 457.4014282 5.16 463.4341431 0.24 473.3123169 0.82 479.3588867 0.10 481.2824707 6.07 499.3419189 16.06 513.2982788 0.24 517.3162842 16.26 518.3311157 0.52 519.1740723 0.12 555.3018188 0.17 560.8791504 1.42 561.5701294 0.25 566.5273438 0.13 573.3215942 11.38 591.2879028 67.01 601.2301636 0.17 602.1237183 0.13 605.5032349 0.36 631.5869751 0.19 633.3019409 2.20 645.2797241 0.32 646.4311523 0.14 655.5479736 0.21 669.0969238 0.12 673.4870605 0.45 676.5465698 0.32 677.5689087 0.31 687.1788330 1.81 687.7844238 0.78 689.2406006 0.25 691.8225708 0.06 705.4013062 22.07 707.2460938 0.66 713.1691895 0.59 720.3586426 0.11 722.2609253 1.96 723.0963745 2.49 731.3641968 5.18 749.3376465 100.00 750.3012085 0.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 793.41 Annotation Unknow Peak:m/z Relative Intensity 229.0553284 0.05 250.9476013 0.08 253.8837433 0.14 255.0335388 0.05 271.9618530 0.23 282.2900085 0.03 289.0687561 1.62 289.8170471 0.20 290.7153625 0.36 294.2674255 0.14 298.2858887 0.14 299.4009399 0.07 331.9311523 0.25 360.0441284 3.98 361.1378784 0.94 362.1101685 0.18 368.3067017 0.04 383.1940918 0.12 385.7352905 0.13 387.2448730 0.07 396.6743774 0.76 427.4160767 0.18 428.6019897 0.16 441.0775757 0.13 445.1246338 0.05 454.5481567 0.22 455.2018433 0.10 457.6335449 0.15 459.1315308 0.09 464.2656250 0.68 465.3721313 0.27 473.1226196 1.57 474.1279297 0.15 483.1859131 0.04 484.5396729 0.18 490.3949585 0.11 505.8573608 0.56 525.8394775 0.28 528.2275391 0.77 529.3980713 0.18 531.8010254 0.70 532.9765015 0.08 534.6209106 0.04 537.6896973 0.24 545.4188843 0.21 552.2214966 0.16 561.1581421 1.30 568.7541504 0.68 569.3876343 0.11 570.1936646 0.06 572.5315552 0.18 578.3444214 0.05 583.4559937 0.17 597.0421753 0.44 607.3948975 0.05 608.1620483 0.16 616.6378784 0.50 618.2868042 0.04 619.5947876 0.66 622.5863647 0.35 626.5086670 0.75 629.4234009 0.29 631.3501587 0.51 632.4669800 0.03 638.0071411 0.13 643.2004395 0.48 644.6801758 0.52 645.4360352 0.07 646.0404663 0.07 647.3712769 0.52 653.4121704 0.35 655.1999512 0.14 659.4978638 0.48 670.1263428 0.59 672.4320679 0.36 678.5146484 1.12 679.6450806 0.49 681.8377686 0.16 685.2187500 0.67 689.7068481 1.42 690.6011353 0.03 698.0372314 0.33 699.3573608 0.11 702.3745728 0.21 708.2599487 0.46 712.3724976 0.23 713.4425659 0.32 714.4173584 0.17 719.5128784 0.19 723.0613403 0.32 724.4782104 0.29 725.4894409 0.27 726.8180542 0.09 727.4680176 0.18 731.8965454 1.11 732.7462769 0.41 734.5261841 0.04 736.6975708 0.32 738.8341064 0.52 740.1487427 0.12 741.3028564 0.79 741.9611206 0.40 743.5886230 0.12 746.4161987 0.15 747.8794556 4.31 748.5004883 0.49 749.2496948 0.26 750.6677856 5.02 751.3051758 1.58 752.4277344 0.41 753.8600464 2.97 754.6910400 0.05 756.8161011 0.77 759.7392578 1.92 761.6340942 4.84 763.5942993 0.35 764.3579712 1.32 765.0779419 0.69 766.7534790 1.38 768.5853882 0.41 769.5947876 2.12 770.9425659 5.22 772.7197876 12.37 774.4401855 26.71 775.6384888 1.05 776.6640015 0.38 778.0643921 0.17 779.2669067 0.23 780.5398560 0.08 781.2861328 0.69 782.3462524 1.65 783.3301392 1.50 784.2742310 1.55 787.0049438 0.23 792.8510132 0.15 801.2075806 1.22 802.8346558 0.44 805.4042969 1.22 808.1651611 0.12 809.2606812 0.41 811.2171021 0.10 814.6304321 1.05 815.2762451 1.32 816.0352173 0.19 817.1820679 6.31 818.1044312 4.37 819.4854126 13.04 820.6198730 1.04 822.8295288 1.72 823.8345337 0.87 827.1500854 1.69 829.5299072 4.75 831.4398193 23.36 832.3112793 2.17 833.7501831 100.00 835.3429565 2.28 836.2509155 2.24 837.4542847 0.90 838.1889648 0.56 839.3038330 0.96 840.7117920 2.91 841.6752319 0.72 843.5244751 1.69 845.7369385 23.23 846.7025757 1.63 847.8512573 72.88 849.4193726 2.26 850.6468506 1.26 851.3568726 1.04 852.4611206 3.32 853.2180786 0.06 854.2157593 5.65 855.0612793 1.34 856.6358643 24.91 857.7210083 2.12 859.1126099 0.86 860.1113892 0.55 861.3375244 0.84 862.4081421 1.18 866.3385620 1.41 866.9451294 1.26 868.8668823 22.61 869.7398071 1.39 871.0997925 67.49 872.1640015 3.51 873.1715088 2.80 874.4841919 2.18 875.8793335 4.61 876.6305542 4.56 877.9086304 0.71 879.4691162 4.23 880.1854858 1.51 880.9746704 1.93 881.7390747 1.01 882.5899048 1.51 883.7487183 0.24 884.4263916 0.41 887.6127930 0.92 888.2744141 0.03 890.5823364 0.10 895.9627075 0.06 897.1335449 0.96 898.1464844 0.09 898.8560181 0.40 899.5219727 0.89 902.0916138 0.06 902.7722778 0.30 903.8883667 1.07 905.2756958 1.37 906.7898560 0.23 907.4075317 0.70 908.0998535 0.78 909.8948364 4.49 910.8274536 1.85 911.7583008 0.53 912.7536621 0.98 915.2153931 1.12 916.4340820 0.07 917.4734497 1.75 918.2419434 0.72 919.7448730 5.09 920.4788208 3.21 921.1103516 5.27 921.7912598 0.51 923.7905273 1.53 924.8350220 0.16 927.6865234 0.63 930.2363892 1.27 931.7521973 0.83 932.5543823 0.17 933.7898560 0.34 934.6373901 0.74 936.5290527 2.70 937.9815063 2.20 938.9738159 0.21 941.6270142 0.90 942.6871948 0.74 944.0849609 1.05 945.4655151 0.53 948.4013062 0.12 950.0936890 3.41 951.5165405 1.14 952.6681519 18.53 953.9185181 1.66 954.7053223 1.16 955.4363403 0.13 956.1144409 0.09 959.4473267 0.92 960.8920898 1.87 963.4386597 0.41 964.9851685 0.37 966.3261108 0.22 967.0207520 0.52 968.9812622 2.94 969.7100220 1.09 970.7167969 0.74 971.3896484 0.22 972.0297852 0.28 972.7664185 0.36 973.8798828 0.12 974.5876465 1.30 975.2651978 1.10 976.3462524 1.15 977.7854004 1.84 978.8507690 0.13 979.7406616 1.29 980.5702515 0.29 984.2163086 0.63 985.5139771 0.73 987.0874634 0.76 996.7190552 0.94 998.7644043 0.18 1005.6708370 0.14 1006.9649050 1.13 1009.5266110 0.72 1011.6970830 0.59 1014.7619020 0.26 1018.3767700 1.57 1024.4373780 0.09 1026.0513920 0.13 1029.2730710 1.02 1035.3643800 0.26 1036.8240970 0.13 1040.7893070 0.13 1044.1865230 0.21 1051.0002440 0.17 1052.1040040 0.22 1052.8249510 0.28 1055.7393800 0.68 1067.6972660 0.26 1068.9506840 0.06 1074.8087160 0.09 1081.8156740 0.83 1082.5865480 0.04 1083.6635740 0.06 1084.6065670 0.41 1085.6369630 0.73 1098.7194820 0.50 1105.6673580 0.58 1114.5119630 0.37 1115.2357180 0.18 1125.8303220 0.29 1128.7886960 0.08 1134.1064450 0.57 1138.1922610 0.19 1138.8562010 0.25 1142.5363770 0.79 1146.3857420 0.27 1154.6000980 0.50 1159.1668700 0.36 1171.8389890 0.13 1177.8181150 0.18 1184.1281740 1.03 1198.6064450 0.56 1200.7750240 0.21 1214.0324710 0.11 1214.8232420 0.06 1246.1481930 0.14 1250.3601070 0.03 1263.3959960 0.37 1264.8710940 0.27 1275.3399660 0.10 1276.7532960 0.22 1286.9234620 0.14 1294.8039550 0.18 1295.8773190 0.17 1297.0681150 0.24 1298.8531490 0.22 1300.7233890 0.10 1308.8121340 0.19 1318.0499270 0.12 1326.7044680 0.18 1339.8513180 0.30 1349.4379880 0.08 1350.7091060 0.19 1354.4816890 0.33 1368.7067870 0.14 1378.8784180 0.15 1388.7003170 0.24 1411.8422850 0.05 1413.2901610 0.34 1429.2904050 0.14 1441.1313480 0.06 1447.1695560 0.08 1449.9648440 0.04 1499.8062740 0.09 1505.4318850 0.15 1506.8394780 0.23 1574.6624760 0.05 1630.7122800 0.03 1715.9400630 0.10 1770.2766110 0.14 1783.9986570 0.14 1794.1126710 0.34 1818.9798580 0.11 1863.2653810 0.21 1970.1320800 1.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 525.3073 Annotation Salvigreside B Peak:m/z Relative Intensity 159.0420380 0.63 241.2534332 0.05 301.2743530 0.45 319.2033081 2.14 363.4454956 0.09 373.3179321 0.01 428.8547974 0.10 430.7027588 0.07 435.1060791 0.21 460.3330688 0.02 461.5061035 0.50 463.9680786 0.04 465.4938965 0.03 479.3747559 100.00 480.0169067 0.28 481.0894165 0.15 506.2648926 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 874.4234 Annotation Unknow Peak:m/z Relative Intensity 247.2165527 0.15 253.2734222 0.09 264.3190918 0.06 265.1433105 0.29 267.3749695 0.05 271.4116821 0.05 283.0870056 0.16 285.4609680 0.05 286.3942871 0.16 297.4187012 0.14 304.9965210 0.04 312.3317871 0.04 320.0598145 0.08 323.4906921 0.14 327.2436523 0.03 329.4881897 0.19 337.3615112 0.11 359.2910767 0.16 361.4612427 0.41 369.6779480 0.05 375.3931885 0.08 377.5696411 0.07 379.3651123 0.60 395.0292358 0.06 397.4594727 0.58 399.4943237 0.51 403.1726685 0.23 404.2020874 0.06 407.1425781 0.07 409.2606812 0.15 411.2514648 0.50 413.4581909 0.11 419.5370483 0.10 422.5674438 0.54 425.5486450 0.08 429.2763672 1.37 431.5049438 0.07 434.5947876 0.03 437.3886719 0.82 439.5128174 0.05 440.4042358 0.10 447.5332031 0.11 454.4562378 0.77 455.4595947 2.11 458.1917725 0.09 465.3627930 0.59 469.5718384 0.02 472.0346069 0.30 472.6375122 0.71 473.4587402 0.26 483.4205933 2.84 487.9974976 0.08 499.2423096 0.17 500.3606567 10.15 501.3605957 2.98 503.3193359 0.04 518.3791504 35.23 519.4436035 0.38 523.3979492 0.35 534.7984009 0.24 536.3419800 100.00 537.0380859 0.19 539.4133301 0.05 552.4710083 0.08 560.1127319 0.11 561.1623535 0.09 564.0645142 0.04 566.3833008 0.05 573.1965942 0.03 578.4713745 0.20 579.2136230 0.20 591.5462036 0.09 595.2355347 0.39 596.3579712 0.04 602.2769165 0.50 605.0726929 0.11 613.0964966 0.06 614.3677368 0.32 618.2398071 0.11 626.3125000 0.14 644.4083252 0.02 656.6912231 0.10 657.4706421 0.14 662.6532593 0.04 666.8853149 0.37 676.3750610 0.18 680.4686279 0.29 698.3941040 23.91 705.2965698 0.09 707.7950439 0.22 708.8148804 0.05 712.2772217 0.45 713.3613892 0.08 731.1223145 0.03 738.4196167 0.04 753.2808228 0.06 754.5801392 0.12 757.1869507 0.26 767.4249878 0.15 777.4076538 0.44 786.4967651 0.65 788.0774536 0.03 796.3002319 0.06 830.3344116 0.07 837.3505859 0.11 838.5486450 0.32 839.3313599 0.10 845.4607544 0.06 852.7656860 0.03 855.2291260 0.20 856.3655396 1.19 859.3467407 0.08 873.4497681 0.34 875.8005981 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 655.3699 Annotation Russelioside A Peak:m/z Relative Intensity 192.9674683 0.02 202.9362030 0.08 207.1308136 0.08 235.3929443 0.06 261.2480164 0.05 271.2294312 0.04 272.0252686 0.04 302.6442261 0.02 305.1077271 0.03 307.2219238 0.37 308.1099243 0.25 309.2214966 0.05 315.1801758 0.26 316.1688232 0.28 317.1906738 0.17 323.2537537 0.02 329.5082397 0.37 330.2094727 0.83 331.2075195 1.02 332.1924438 0.61 337.1956787 0.06 341.0305176 0.08 345.1892090 3.63 346.1683960 3.55 347.1936646 2.82 351.4874268 0.05 358.3782349 0.06 359.1676636 0.58 360.1773071 0.81 361.2933350 0.26 375.0156860 0.03 386.8735352 0.05 397.1637573 0.01 401.1657104 0.04 413.5737305 0.03 446.4586792 0.05 447.3306274 0.21 457.0513306 0.06 457.7514038 0.07 461.3417969 0.06 467.4835815 0.03 473.2699585 0.02 474.3360596 0.07 475.4421387 1.05 478.4039917 0.21 479.2690430 0.12 480.9898682 0.02 493.0144043 0.17 493.6159668 0.15 508.4965210 0.09 515.3765259 0.01 516.5351562 0.03 522.6927490 0.10 527.2892456 0.05 531.5476074 0.04 533.6630249 0.21 534.2852783 0.13 535.4459229 0.09 537.5200195 0.07 538.4166870 0.04 539.4226685 0.09 548.5186768 0.13 551.2540283 0.04 555.5275269 0.06 558.1979980 0.03 565.3878784 0.08 566.8585205 0.04 574.8186035 0.09 575.4463501 0.08 581.9420776 0.07 585.6140747 0.07 591.2682495 0.05 592.5431519 0.03 595.3790894 0.34 596.2976685 0.10 597.7880249 0.06 601.2578735 0.02 605.4287720 0.09 609.4241333 100.00 610.1187134 0.80 611.3295288 0.18 617.7322998 0.03 619.6713867 0.06 622.1476440 0.02 623.4953613 0.15 627.2062378 0.09 632.2092285 0.08 633.5600586 0.05 635.3352661 0.03 636.1698608 0.30 637.4274902 0.19 639.1562500 0.18 639.8751831 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1407.6057 Annotation Unknow Peak:m/z Relative Intensity 421.4660034 0.12 437.3146667 0.10 501.3262024 1.81 502.3901978 0.41 543.4699707 0.81 675.3557129 0.43 743.6827393 0.36 761.8799438 0.07 809.6884155 0.47 810.4181519 0.11 889.8317871 0.08 905.5684814 0.21 907.4180908 0.21 967.5024414 1.31 968.6362305 7.88 969.6212158 0.59 997.6772461 1.97 998.8417969 0.90 1039.6938480 3.82 1057.7562260 2.06 1099.4841310 100.00 1100.7087400 3.00 1111.6923830 0.10 1173.5017090 21.06 1174.5590820 2.16 1175.7382810 0.93 1204.4439700 0.39 1215.7297360 0.16 1239.6210940 0.25 1258.6510010 0.27 1275.4738770 3.04 1276.5168460 35.79 1277.5446780 4.92 1285.3710940 18.78 1286.2575680 2.21 1286.9259030 0.06 1303.8706050 0.21 1304.6558840 0.16 1312.8708500 0.13 1319.5340580 0.59 1328.4893800 24.76 1329.7526860 2.58 1344.6479490 0.13 1345.7058110 0.13 1354.5134280 0.38 1362.5784910 10.44 1363.5830080 0.69 1372.5085450 0.34 1373.7773440 0.14 1375.5527340 0.61 1388.3967290 10.47 1389.7030030 0.55 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 496.7224 Annotation Unknow Peak:m/z Relative Intensity 156.0908203 0.04 305.0342102 0.01 356.7808533 0.19 364.3410645 0.14 391.7774963 0.04 401.7138367 0.15 402.9097595 0.08 410.5107117 4.19 411.5124207 0.49 415.9488831 2.68 416.8892822 0.36 417.5950928 0.15 424.4981689 70.98 425.3344727 4.71 429.7574463 0.13 433.4541016 3.16 434.4733887 0.07 435.2112732 0.06 438.4158020 100.00 439.4072876 7.14 440.9384155 0.02 443.1186218 0.03 447.2648010 30.33 447.9626160 19.42 448.7802124 0.03 452.7504578 0.21 457.9007874 0.02 460.0391541 0.25 461.3698425 0.56 462.0260925 0.09 466.8193054 0.18 473.9894104 16.29 474.9187927 0.92 476.2135925 0.07 480.1044006 0.59 483.0370789 2.57 483.8313293 0.51 487.7430115 15.01 488.4319458 13.22 489.3894348 0.22 507.2027893 0.01 511.6106262 0.11 575.7312012 0.05 623.7331543 0.01 638.3284302 0.08 682.7454224 0.08 711.3719482 0.14 714.4212036 0.08 728.4107056 0.04 787.3541870 0.04 815.7948608 0.10 837.3894043 0.07 848.4526367 0.05 849.5155640 0.03 875.7308960 0.34 876.6233521 0.29 893.6596680 0.55 894.4851074 0.26 932.4839478 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 653.3536 Annotation Unknow Peak:m/z Relative Intensity 191.3132172 0.02 193.2676697 0.09 205.2093353 0.05 207.1727448 0.05 215.0960693 0.03 230.9595947 0.03 233.0371552 0.30 245.0540009 0.03 246.9258728 0.04 247.9971619 0.03 263.2917786 0.12 265.3021851 0.05 267.1672363 0.08 275.0591431 0.06 277.3737488 0.09 280.2507324 0.02 285.5048523 0.08 291.0662231 0.17 292.2721558 0.06 295.3305054 0.05 307.2371826 0.13 309.4752197 0.07 329.2090454 0.04 335.2247314 0.03 343.6331177 0.03 349.2371216 0.25 353.1332397 0.81 355.2068481 0.03 359.3840942 0.02 367.5021362 0.15 369.5458984 0.30 378.2542725 0.06 395.3051758 0.03 396.4268188 0.03 399.6120605 0.08 414.1478271 0.06 418.1233521 0.04 421.2174072 0.15 428.3923340 0.11 429.1925049 0.03 430.4022217 0.06 435.0887451 0.02 437.4597778 0.04 439.3966064 0.71 440.9718628 0.08 448.5511475 0.21 450.0490112 0.03 455.4023438 0.12 457.9862061 0.14 465.1204224 0.04 468.3681030 0.09 469.4270630 0.13 473.3959961 0.18 474.4720459 0.02 475.2855835 0.02 476.3595581 0.87 477.2445679 0.12 478.5835571 0.06 491.0355225 0.10 491.7824097 0.04 492.5101929 0.03 496.4024048 0.12 506.4382324 0.03 508.3928223 0.14 513.4494629 0.07 514.2191162 0.02 517.8144531 0.13 518.4795532 0.10 521.2380981 0.14 523.4783325 0.08 531.4294434 0.22 532.2943115 0.03 533.0364380 0.14 534.2127075 0.12 536.2726440 0.05 538.2514038 0.06 542.0239868 0.20 550.5495605 0.05 557.7255859 0.02 559.4567261 0.05 562.9448853 0.14 564.3436279 0.06 565.4653931 0.06 567.3821411 0.09 571.3149414 0.53 573.4178467 2.56 574.3806152 0.24 576.3159790 0.01 577.3505249 0.05 581.3223877 0.04 585.2570801 0.09 589.4653320 0.18 591.8892212 1.86 592.5004272 9.66 593.4691772 3.02 595.0972290 0.08 601.2416382 0.08 602.3555298 2.30 603.0220337 0.31 607.4147339 100.00 608.0825806 0.30 608.8915405 0.37 609.7734375 0.66 610.4332886 1.05 611.2186890 0.27 614.2976685 0.09 616.3594360 0.10 617.1971436 0.03 619.5588379 0.08 623.6928101 0.15 624.3252563 0.13 629.4131470 0.05 631.3270874 3.68 632.0124512 0.04 634.5604858 0.39 635.3180542 0.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 246.123 Annotation 4-Acetamidoantipyrin Peak:m/z Relative Intensity 82.66438293 1.32 85.95389557 0.83 96.28257751 1.85 110.8674622 6.97 114.6899719 5.21 115.9324646 12.88 116.9078522 5.42 120.9249268 2.75 123.075058 4.79 134.0838165 17.75 141.2392731 6.39 154.1556244 5.24 155.9940796 29.05 160.1542053 1.50 161.1717987 7.35 171.1570892 1.47 175.0439148 18.11 180.1704102 2.07 182.3695679 3.73 186.230896 5.35 189.3604584 3.47 191.0090179 2.02 198.8010406 3.00 200.1587067 38.99 201.2917633 7.85 202.0865173 16.61 203.1163788 2.59 203.925705 10.03 204.6807404 16.68 210.2015991 6.46 214.4836426 5.21 218.147995 9.77 223.6869507 28.42 226.1023712 2.64 228.1154785 100.00 229.2026367 29.10 231.2999878 15.87 232.5447388 5.83 245.1659698 7.03 246.145813 1.95 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 631.2748 Annotation Brassica napus non-fluorescent chlorophyll catabolite 3 Peak:m/z Relative Intensity 191.8913269 0.07 218.1896515 0.12 220.2939911 0.02 221.1353455 0.05 239.2048492 0.02 245.0058594 0.01 246.2612915 0.04 263.4776611 0.07 271.2405701 0.17 273.1438599 0.02 278.9855957 0.05 287.2510376 0.05 289.0194092 0.21 299.1948853 2.22 301.2256470 0.10 304.4237671 0.02 307.2183838 0.06 312.1966553 0.05 313.7209473 0.02 315.2410889 0.67 327.4442749 0.01 339.3438721 0.04 341.2961426 0.31 343.1198730 0.28 345.0562744 0.03 350.9509277 0.02 366.9207153 0.72 367.5977173 0.02 377.3129883 0.03 385.0933838 0.73 411.5758057 0.04 422.2890015 0.78 430.4332886 0.07 434.3334961 1.99 446.3764648 0.05 448.2666016 0.98 449.1287842 0.07 450.2653198 0.34 452.2682495 0.16 455.2147217 0.04 457.6198730 0.02 460.3251343 0.69 462.3150635 0.03 464.2789307 8.98 465.5747681 0.16 466.3222046 0.05 468.0539551 0.05 476.2079468 0.32 477.1987915 0.44 478.3505859 0.42 479.8669434 0.08 490.2451782 1.76 492.2990723 0.15 496.2119141 0.06 503.5017700 0.10 506.3437500 0.06 507.0780640 0.02 507.9691772 1.39 508.5935669 0.01 527.5723877 0.03 557.2535400 0.01 559.2976074 0.09 567.2190552 0.07 569.0227661 0.28 569.6316528 0.49 571.2399902 0.05 581.1524658 0.15 585.3014526 0.14 587.2816772 67.27 588.0079346 0.11 595.3518677 1.84 596.4595337 0.08 599.3137817 0.49 613.2554321 100.00 613.9915161 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 537.1978 Annotation (+)-Cycloolivil 4'-O-beta-D-glucopyranoside Peak:m/z Relative Intensity 150.1382446 0.18 158.9556122 0.08 161.0788116 0.82 162.1112671 0.10 163.1360016 0.20 163.8951721 0.21 165.0982513 12.54 178.9807129 4.75 180.0688782 0.17 195.1153564 32.38 199.3227844 0.22 204.1461182 0.16 208.1519165 0.21 221.3376312 0.07 240.9554138 0.11 243.3384705 0.08 249.2815704 0.17 268.2914429 0.76 269.2121582 0.11 279.1550293 0.09 285.0768433 0.28 312.0677490 0.34 315.0936279 0.26 316.1476440 0.07 327.2236328 100.00 337.3892212 0.47 339.1140137 2.79 341.1103516 1.16 343.7023926 0.32 355.1821289 0.15 357.3019409 4.17 361.2612915 1.02 362.2332764 0.13 373.3600464 0.13 375.0845947 11.57 381.4466553 0.14 383.2177734 0.12 393.8046875 0.11 397.0090942 0.10 404.2716064 0.32 406.4625244 0.16 429.2236938 0.94 444.5250854 0.10 450.5001221 0.29 461.3281860 0.27 463.0693970 0.21 475.4050903 0.13 477.5939331 0.16 489.1735840 44.14 490.4677734 0.98 491.2465820 0.49 492.4057007 0.18 493.4094849 0.53 500.1370239 0.29 501.2819214 2.15 504.4268188 0.80 505.2482300 0.22 506.6159668 0.10 507.2739258 0.10 509.4904175 0.49 518.5724487 1.57 519.3799438 3.39 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 469.1749 Annotation Unknow Peak:m/z Relative Intensity 166.9216766 0.18 168.9764557 0.23 220.5316925 0.23 241.0217896 15.51 242.2080078 0.63 242.9912262 0.33 257.0305481 3.05 257.9966431 1.79 259.1282043 3.66 269.8704529 0.05 299.1151733 4.70 300.1383667 0.36 307.1369934 0.56 317.5085449 0.29 319.1565552 0.10 323.9696655 0.52 338.4576416 0.48 349.1686401 0.11 378.3547058 0.17 395.1525574 5.84 396.1762085 1.19 398.2885132 0.33 408.2727966 0.19 412.4848633 0.08 419.2275696 0.12 421.4021301 0.67 423.1866455 1.42 424.4692078 0.22 425.4557495 0.32 434.2275696 0.38 435.3907776 0.91 436.3959656 0.26 437.3688660 9.31 438.3219604 0.96 439.1589050 0.96 440.2754822 5.18 441.1365051 9.36 441.8393860 0.08 442.7499084 0.59 451.2394714 100.00 452.3277283 17.53 454.2961121 0.37 469.4038391 0.76 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 677.28 Annotation Unknow Peak:m/z Relative Intensity 219.1963501 0.12 227.2699890 0.51 256.1569519 0.15 258.8276062 0.29 265.3408813 0.05 267.2326660 0.51 271.4018555 0.35 272.9385986 0.16 284.0947571 0.30 285.0335999 0.65 301.3830566 0.06 302.4177551 0.34 303.3414917 0.16 307.2364502 0.17 317.0305176 0.20 320.2717896 0.10 321.2343445 0.16 322.2252808 0.14 323.4083252 0.14 325.3644409 0.18 331.3755798 0.07 333.3867188 0.08 337.1720581 0.34 343.2905884 1.07 344.1940308 1.97 345.0050354 0.27 347.1934814 0.07 349.4269409 0.14 351.3776855 0.34 355.4131470 0.28 357.3460083 0.52 360.3818970 0.12 369.3685303 0.49 373.2515869 0.08 375.2470703 0.08 388.3879395 0.09 389.2288208 0.08 392.6038818 0.32 393.5841675 0.95 394.9622803 0.20 396.6204834 0.22 399.1919556 0.12 406.7675781 0.13 410.2598267 0.11 411.4205322 4.45 427.1778564 0.54 429.2936401 3.92 432.8951416 0.20 433.9650269 0.07 435.4594727 0.22 437.4513550 0.11 456.1593018 0.08 459.4154053 0.07 463.3951416 0.21 464.3174438 0.86 474.9470215 0.50 476.5668335 0.19 480.2911987 0.11 482.5820923 0.14 483.5429077 0.13 488.3564453 0.46 490.4274292 2.04 492.3670044 1.60 493.6269531 0.13 494.4138794 0.87 496.7444458 0.25 500.4060669 0.14 501.3848267 0.50 504.7703247 0.11 506.2791138 1.32 508.3759155 0.28 509.2872925 0.10 511.2658691 0.32 512.0908203 1.34 514.3008423 1.67 515.4434204 0.71 520.3492432 41.64 522.3579712 100.00 524.3144531 1.27 530.1582031 6.39 531.6859741 0.10 532.7151489 0.12 537.7354126 0.85 538.3948364 4.65 550.1430054 0.30 562.8307495 0.17 569.3565674 0.23 587.4915771 0.13 588.9636841 0.58 590.4976196 0.06 591.2981567 0.31 596.3093262 0.21 596.9560547 0.10 599.4306641 0.28 600.0313110 0.08 601.4017944 0.48 608.4591675 0.08 609.3388062 0.20 613.4263306 0.58 615.1862793 0.63 617.3256836 0.70 619.2872314 0.26 623.4141846 0.69 626.2305298 1.13 627.3400879 4.78 629.0744019 0.37 631.2791138 0.21 632.5032959 0.10 633.4679565 0.87 640.1963501 0.96 641.3306274 7.29 644.6800537 3.63 645.3750610 22.68 647.4274902 0.19 649.2501221 0.55 658.4816284 9.92 659.2968750 28.60 660.1170654 0.41 668.1011353 0.44 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 563.2344 Annotation Unknow Peak:m/z Relative Intensity 207.1845245 0.06 229.0365906 0.04 250.5164337 0.12 285.1978149 0.02 293.3061523 0.24 294.8022156 0.07 307.2897339 0.05 311.1786499 0.38 330.4689331 0.05 377.2595825 0.13 382.5173340 0.05 383.3029175 0.21 384.1142578 0.06 401.6838379 0.06 442.5097656 0.09 447.0526123 0.14 459.6130371 0.03 468.1018066 0.02 473.1140137 0.04 475.2951660 0.07 482.7783203 0.03 500.3626099 0.08 501.0562134 0.01 503.3045044 0.08 506.4357300 0.02 517.2345581 100.00 517.8566284 0.73 519.4848022 0.11 520.3948364 0.04 521.9060059 0.08 525.2849731 0.43 526.4050293 0.17 533.6110229 0.04 536.5321655 0.04 544.2694702 0.08 545.1660156 0.05 546.0368652 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1289.5863 Annotation Unknow Peak:m/z Relative Intensity 425.4507446 0.13 437.5828552 0.08 453.7858276 0.12 455.2998352 0.08 488.3579102 0.12 501.6253052 0.53 571.4489746 0.27 629.7696533 0.06 773.6705322 0.10 775.5008545 0.25 793.5529785 0.21 809.3920898 0.11 817.2895508 0.14 835.4881592 1.06 837.6219482 0.04 877.3002930 0.06 919.7580566 0.13 921.7568359 0.06 939.5905762 1.51 981.5269775 100.00 982.1853027 0.51 1121.6132810 0.07 1124.7901610 0.37 1129.3481450 0.20 1144.4423830 2.26 1145.4660640 0.63 1157.6265870 0.25 1158.4641110 0.69 1169.7541500 0.34 1187.4711910 0.21 1202.6868900 0.11 1244.6698000 0.45 1245.4282230 0.81 1256.5615230 0.10 1270.5463870 1.06 1271.4383540 0.56 1273.7431640 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 396.2498 Annotation PC(O-10:1(9E)/0:0) Peak:m/z Relative Intensity 115.0520248 0.06 116.9415436 0.07 119.3046417 0.16 120.8949203 0.22 123.1354980 0.22 125.0229492 0.17 128.9736938 0.15 131.1819153 0.28 132.9480591 0.36 134.9875946 0.22 137.0897827 0.21 140.8491974 0.06 143.1329803 0.05 145.0801239 0.42 147.1776276 0.13 148.3182373 0.04 149.1803589 0.21 150.9633179 0.51 153.0427551 0.05 154.8143158 0.29 156.0663605 0.08 159.1075897 0.08 161.1230164 0.34 163.2652130 0.20 165.1758423 0.06 173.1767273 0.06 176.9575195 0.09 178.1432343 0.08 179.3246460 0.04 184.1246033 1.28 187.0600586 0.42 189.2358398 0.06 195.1039734 0.17 196.0865479 0.07 198.2817078 0.07 198.9782104 0.23 200.9069824 0.34 205.5276184 0.03 207.0379944 0.24 212.2343597 0.07 213.0740509 0.13 214.2680817 0.05 215.3491058 0.20 217.1157532 0.07 219.1228790 0.41 221.1420898 0.03 224.4391785 0.04 225.3351135 0.15 227.1815796 0.05 228.3301086 0.40 233.0854187 0.30 233.9659729 0.13 236.3032837 0.13 237.4470520 0.12 239.1611023 0.32 241.2229004 0.13 242.3522034 0.67 245.2629700 0.63 247.3778381 0.13 249.3957520 0.05 250.5082703 0.31 251.1976013 0.08 253.0678711 0.05 254.3973999 0.03 255.2331543 0.59 257.4913025 0.10 261.2210083 0.06 262.2559204 1.01 263.2556763 1.36 264.1637878 0.22 267.3879395 0.09 269.3791504 0.40 271.6229248 0.12 275.3001099 0.14 280.2900391 7.36 282.4296875 0.20 283.2518616 0.11 285.3096619 0.08 287.3113708 0.05 295.6474609 0.52 298.2591553 100.00 305.3517456 0.07 308.6284790 0.15 309.8572693 0.06 311.3540039 0.06 313.2807007 0.15 317.7939453 0.06 318.4515381 0.06 322.5139771 0.17 323.2366028 0.03 324.3977356 0.20 327.3573608 0.09 329.9547119 0.09 333.1999207 0.29 334.9689636 0.46 338.3615112 0.18 339.2263794 0.03 343.3129272 0.04 347.6745605 0.04 349.3863220 0.04 350.0739746 0.32 351.2044678 0.22 353.0856934 0.05 354.3533020 0.20 355.8027954 0.12 357.5967407 0.06 364.3122559 0.16 365.2944946 0.18 368.6131287 0.48 377.8145752 4.18 378.4353333 9.46 379.0943298 1.14 380.3774109 0.06 396.1598511 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 538.12 Annotation Unknow Peak:m/z Relative Intensity 163.1289368 0.38 177.1285706 0.11 180.9271851 0.96 182.1263428 0.15 188.1852417 0.20 191.0112915 0.09 199.2106476 0.73 210.8203430 0.13 228.2108765 0.17 231.0832825 5.18 233.1227875 0.05 236.2116089 0.08 241.1376190 0.15 249.3401337 0.25 254.7801514 0.88 255.4382019 0.07 262.9434814 0.18 283.3049927 0.33 284.2299194 0.20 285.6113892 0.41 287.0910645 0.39 287.9658813 0.17 289.0722961 0.17 297.1632690 0.19 301.3511963 0.09 306.0944824 8.60 308.6886597 0.21 314.5095825 0.20 315.1287842 0.62 316.1801147 0.23 317.1190186 4.08 322.2492676 0.07 327.4230347 0.10 329.2468262 0.49 334.0612183 100.00 334.6735229 0.16 344.7524414 0.06 364.4197388 0.36 373.0815430 0.08 375.3682251 0.12 378.0137939 0.07 378.9129639 0.31 391.0718994 0.21 392.1728516 0.31 400.0189819 0.16 409.0714722 83.84 409.6755371 0.50 425.0178223 0.13 439.7857056 0.25 441.1345825 0.15 445.0396729 0.05 458.1232910 0.33 463.0277710 0.65 475.3012695 0.53 491.4751587 0.18 493.0036621 0.19 493.6437988 0.24 502.3047485 0.16 505.9681396 0.20 507.6718140 0.24 508.8020630 0.16 509.5244751 0.05 520.1607056 10.36 521.2124023 2.01 537.8722534 0.15 538.7242432 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1656 Annotation beta-D-Glucopyranosyl-11-hydroxyjasmonic acid Peak:m/z Relative Intensity 109.0983429 0.06 113.0467606 1.14 115.0712891 0.20 119.0147552 1.46 124.8923569 0.38 130.8786163 0.82 135.1091003 0.08 142.9967804 1.29 145.0169678 0.14 146.9808655 0.46 148.8676147 0.45 159.2296448 0.45 161.0901184 1.71 163.0716248 100.00 178.9384460 0.67 180.2079163 0.42 181.1728821 0.63 195.0634766 0.04 205.9046936 0.07 207.0134735 1.84 209.0333405 1.23 224.2557983 1.64 225.0781250 2.18 234.9554443 0.16 239.1456909 0.07 240.9128418 0.20 252.1113281 0.23 257.1405945 0.09 266.1399231 0.08 267.2175598 0.18 282.2519226 0.15 287.0725708 0.75 295.2108459 0.09 296.1921997 0.18 299.0598145 0.04 303.2056885 0.09 315.2289124 0.09 325.1660156 0.21 326.2761230 0.22 340.4372253 0.14 341.1141663 1.76 343.2079163 1.35 350.9293823 0.06 357.2685547 0.26 359.5647888 0.14 369.2554321 28.19 372.0365906 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 949.2452 Annotation Unknow Peak:m/z Relative Intensity 269.4466248 0.02 270.1188049 0.05 287.1279297 0.11 288.0945435 0.04 303.2238159 0.08 315.1343079 0.14 316.0490112 0.23 324.3908386 0.04 329.1232605 0.01 330.1347046 0.30 331.1750793 0.66 340.3450317 0.07 355.4231567 0.04 373.0783081 0.44 383.0484924 0.03 397.2084351 0.05 403.2648315 0.03 457.3419800 0.03 480.0895386 0.05 483.4731445 0.02 493.4765625 0.03 504.6870117 0.02 523.4409180 0.02 528.7825317 0.01 551.3323975 0.04 601.0371704 0.05 622.2747803 0.06 637.3989868 0.64 640.0661011 0.02 655.1489868 0.88 667.3358765 0.85 671.4191284 0.13 676.2510376 0.02 679.4746704 0.11 733.2315063 0.02 756.6273804 0.01 767.2642822 0.02 768.0718994 0.08 769.4071655 0.19 771.2968750 0.07 772.2529907 0.05 773.6353760 0.05 783.0114136 0.02 787.2633667 100.00 819.4270020 0.03 829.5217285 0.04 873.4649658 0.08 890.5349731 0.12 898.2733765 0.01 904.7753906 0.03 914.5922852 0.03 916.3799438 0.09 921.0900879 0.10 931.1401367 0.03 934.4343872 0.37 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 432.2431 Annotation Unknow Peak:m/z Relative Intensity 129.8838196 0.13 133.0952606 1.70 137.1646576 0.07 141.2362213 0.04 144.8990479 0.05 147.0722504 1.42 149.1885376 0.05 164.9792023 0.09 174.0565491 0.03 176.6016693 0.23 177.2352753 0.73 179.1571045 0.02 179.9685669 0.10 182.2495117 0.02 189.2393188 0.09 190.9487152 0.08 195.1805267 0.03 196.3031769 0.03 200.9778748 0.04 208.4297180 0.07 209.2085876 0.20 214.5409241 0.10 215.1674500 0.03 216.9635773 0.07 219.2524719 0.01 221.1237793 0.11 223.1734161 0.03 224.4826508 0.08 227.0032196 0.02 234.2301025 0.04 234.9931335 0.26 243.2368774 0.38 244.4353333 0.08 247.1228027 0.02 247.7318726 0.08 248.9266357 0.01 253.1127625 100.00 254.2136841 0.10 257.1868286 0.05 261.2612305 0.13 262.7739258 0.02 265.1912537 0.03 270.0524597 0.85 275.1991272 0.05 276.1313477 0.03 281.1071167 0.02 281.8957825 0.12 283.4702454 0.05 284.9049377 0.03 286.2383728 0.02 287.2889709 0.04 294.4222717 0.10 300.1196289 0.06 301.1204224 0.16 303.2102356 0.06 306.4955750 0.07 307.9238892 0.15 309.1550903 0.04 311.2019653 0.08 315.2109985 0.08 316.2221680 0.05 318.3463135 0.03 319.1623840 0.03 321.0775757 0.09 325.6997681 0.03 326.4462280 0.02 329.4530029 0.07 339.4030762 0.03 343.5772095 0.01 347.4916992 0.10 351.2496338 0.04 353.3944092 0.09 361.1332397 0.07 362.1435547 0.15 367.3268127 0.21 369.4133606 0.09 370.2157593 0.01 371.2662659 0.04 373.6246338 0.01 375.5721130 0.04 378.9377136 0.03 380.9488220 0.04 385.2933655 0.13 386.2669983 0.27 386.9973755 0.18 387.8176575 0.13 393.9681702 0.09 394.7314148 0.20 395.4137573 0.25 396.1044617 0.20 397.0523376 0.03 400.0432129 0.17 401.7669678 0.01 406.6915588 0.08 407.9306946 0.09 411.0895691 0.09 411.7071838 0.13 413.1666565 0.90 414.2577209 1.00 415.3520203 1.94 416.1583862 0.20 418.4220581 0.05 422.2958984 0.13 423.0296021 0.08 434.3578796 0.04 438.1624756 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1071.73 Annotation Unknow Peak:m/z Relative Intensity 301.3047180 0.32 314.2110596 0.29 329.1828613 7.61 344.1771851 15.85 345.1782227 0.15 359.1881714 28.98 373.0809021 0.08 455.3676147 0.34 517.0979004 0.03 532.8591309 0.34 535.0488281 100.00 535.7603760 0.15 867.0255127 0.12 1039.5980220 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 969.93 Annotation Unknow Peak:m/z Relative Intensity 335.1286621 0.03 469.7546387 0.06 471.4336548 0.35 535.5877686 0.11 571.3690796 0.04 579.4504395 0.77 585.6073608 0.99 597.6505127 0.05 621.3665771 0.10 625.1013184 0.08 625.7329102 0.06 629.3990479 0.43 633.4000854 0.08 643.5913086 1.39 647.1212158 0.20 647.7420654 0.55 687.5923462 0.09 689.6337280 0.14 705.1502075 0.05 741.2321167 0.32 741.8692017 0.03 747.3253784 0.51 762.2354736 0.08 763.6548462 0.49 791.4871826 2.03 793.2518311 0.30 805.5162354 10.12 809.4904785 76.76 810.2106323 0.26 821.5538940 1.01 831.5834351 0.03 837.3305664 0.20 845.8632202 0.08 849.5045166 14.61 851.7065430 0.04 865.3648071 2.50 866.1063843 0.04 867.5142822 32.78 879.3045044 0.23 893.2532349 0.12 897.2852173 0.70 907.4078369 0.49 909.3334351 1.67 910.3969116 1.89 911.2698364 0.05 925.4713745 100.00 926.1719971 0.13 927.4285889 0.03 937.3957520 0.06 951.3502808 1.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1047.7341 Annotation Unknow Peak:m/z Relative Intensity 295.2460938 0.22 301.1142883 0.16 311.3614197 0.24 315.1708069 0.28 322.4765015 0.83 343.7637024 2.04 356.3009033 0.35 361.6224670 0.13 363.5469971 0.47 364.3892212 0.30 369.5438232 0.10 379.3981323 0.11 390.2400818 0.43 401.1218262 1.48 403.2391357 0.49 409.2926025 0.16 430.2836304 0.86 439.5003052 0.52 452.2784119 0.16 465.4306946 0.09 466.7036743 0.28 492.3837280 0.77 494.5850830 0.30 497.1727905 0.12 500.1369019 0.34 511.9344177 0.19 513.2755737 0.63 514.0177002 0.52 516.9430542 0.30 526.3338013 0.53 534.6868896 0.30 542.9692383 0.16 558.2358398 0.19 560.2930908 0.17 564.6619873 0.79 577.4183350 0.72 578.9409790 0.30 589.0296021 0.19 601.0093994 0.24 614.9316406 0.56 630.5267334 0.38 636.6335449 0.58 640.5452881 0.31 650.3992920 0.41 651.5185547 0.46 668.6223145 1.16 670.2551270 0.53 674.6243896 0.41 678.2199707 0.34 681.0512695 0.94 684.7814941 0.46 710.8154297 1.24 712.4237061 0.51 714.2092896 0.49 715.3807373 1.02 721.3511353 0.35 733.8853149 1.10 737.2854004 0.41 739.5023193 0.65 751.5420532 0.16 758.3049316 0.46 774.3551025 0.75 782.4657593 0.49 791.5831299 0.70 797.8482666 0.19 805.3961182 1.58 816.3214111 0.23 819.6605225 1.77 825.4936523 0.60 831.7111816 1.91 832.6585693 2.46 833.8530273 0.91 834.6956787 0.83 866.1384277 0.49 874.2446289 1.42 875.5172119 0.69 884.3188477 1.01 888.4201660 1.36 895.6600342 1.49 898.6904297 1.65 903.9458008 1.31 906.5496826 0.27 908.1737061 2.47 908.9020996 1.11 909.5843506 0.38 912.9144287 2.65 915.5009766 1.22 918.4047852 3.09 919.5109863 2.09 920.6934814 0.24 922.3609619 0.10 925.5723877 3.03 926.3928223 0.34 928.1147461 0.41 929.0196533 1.80 931.7692871 0.85 934.3498535 1.35 937.2128906 1.99 939.5809326 3.07 940.2871094 2.21 941.5306396 4.40 942.6470947 4.09 943.5656738 1.97 944.3072510 0.86 945.6141357 1.82 946.4201660 3.23 947.3962402 4.33 948.1187744 4.23 950.2702637 5.11 951.0734863 1.27 951.9443359 1.37 953.0108643 4.20 954.0296631 1.83 955.1853027 3.60 956.0537109 3.53 957.5522461 3.52 959.0944824 16.41 960.0715332 7.81 961.2089844 3.99 962.1640625 1.66 962.9841309 0.40 963.6177979 2.10 964.8675537 5.18 966.5729980 1.98 967.3289795 2.19 968.4388428 4.47 969.4743652 2.09 970.6098633 10.49 971.4544678 7.68 972.8767090 3.39 973.9287109 6.15 975.1489258 9.19 976.5507812 4.58 977.2017822 2.89 977.8479004 1.71 979.4838867 6.20 980.9482422 8.70 981.8156738 3.24 982.7095947 4.51 983.7382812 10.24 985.2795410 2.14 987.1214600 9.69 988.6567383 3.66 990.0334473 13.94 991.1864014 3.14 992.1082764 2.52 993.3269043 11.40 994.4001465 10.82 995.8068848 32.97 996.5854492 7.42 997.3813477 8.48 998.6461182 3.10 999.4218750 1.77 1000.9001460 5.42 1002.2446290 20.25 1003.1550290 4.88 1003.7712400 13.26 1004.5402830 4.69 1005.2106930 4.33 1006.1607670 3.42 1007.1282960 2.45 1009.4160160 1.93 1010.1634520 10.65 1011.0047610 3.86 1012.8991700 17.92 1013.8155520 19.96 1014.6911620 4.76 1015.9112550 23.48 1016.7791750 19.51 1017.6590580 8.67 1018.8122560 10.38 1019.4924320 57.01 1021.0258790 8.17 1022.6621090 38.92 1023.4561770 32.50 1025.1633300 71.72 1026.1735840 19.78 1027.1285400 4.31 1028.0454100 9.39 1028.7684330 100.00 1029.5501710 29.19 1030.6268310 5.46 1031.5111080 12.95 1032.6396480 9.60 1034.8852540 58.31 1035.7253420 30.03 1037.2465820 1.31 1038.3905030 57.90 1039.1967770 5.55 1040.8000490 21.76 1041.5742190 4.27 1042.8072510 0.38 1048.7908940 0.19 1059.2620850 0.48 1061.9863280 0.63 1062.6163330 0.34 1063.5297850 0.88 1069.6684570 0.67 1072.7326660 0.28 1084.6942140 0.48 1085.8295900 1.83 1088.4580080 1.85 1096.1895750 0.56 1098.0488280 1.51 1100.1994630 1.79 1101.3666990 0.60 1103.9226070 1.41 1108.7185060 0.25 1115.4406740 2.71 1116.6782230 0.21 1118.4511720 0.20 1120.1693120 2.19 1121.5781250 0.69 1122.2082520 1.24 1123.5585940 2.28 1130.5740970 0.76 1133.9385990 1.01 1136.3605960 0.67 1137.6043700 0.37 1143.7175290 0.28 1148.0817870 1.27 1149.7968750 0.73 1154.2321780 1.70 1158.5850830 1.18 1159.9169920 0.51 1168.1157230 2.00 1174.3974610 1.60 1177.9299320 1.10 1180.2878420 0.31 1181.6218260 1.25 1185.6337890 1.23 1188.4729000 1.30 1191.8518070 0.83 1192.5522460 0.65 1195.6594240 0.31 1196.5020750 4.11 1197.3908690 0.20 1200.3767090 0.95 1201.0332030 1.29 1202.7653810 0.38 1203.8333740 0.62 1208.3924560 0.39 1210.2736820 1.73 1211.1459960 0.89 1211.9790040 2.20 1213.1184080 2.30 1217.4174800 0.44 1218.0285640 1.55 1218.8222660 1.12 1223.1634520 0.53 1223.7983400 1.29 1225.5806880 0.35 1226.2586670 1.39 1227.7489010 0.77 1230.1335450 1.02 1231.2895510 2.27 1232.9738770 1.23 1235.4140620 1.12 1237.9328610 0.39 1240.0649410 2.02 1241.1538090 3.41 1242.1065670 1.55 1243.1687010 3.04 1244.0655520 1.32 1246.7578120 1.26 1248.8138430 0.27 1251.4514160 2.48 1255.0559080 0.39 1256.9013670 1.11 1258.3881840 1.23 1260.0107420 1.45 1260.6451420 2.01 1261.7239990 0.32 1263.2420650 0.87 1264.4099120 0.74 1265.2387700 2.08 1267.1354980 1.14 1269.0939940 0.36 1270.7403560 0.53 1272.0837400 1.07 1273.0754390 2.22 1275.7707520 5.48 1276.6850590 0.79 1277.6508790 1.41 1278.6938480 5.13 1280.0374760 0.48 1281.3035890 4.61 1286.3886720 1.19 1287.3278810 1.00 1289.2368160 0.60 1290.8907470 1.67 1291.7264400 2.95 1292.3637700 0.09 1293.2105710 0.54 1293.9726560 2.32 1294.9508060 1.58 1295.7888180 7.00 1296.9986570 0.60 1298.4731450 4.22 1299.1212160 1.05 1300.1257320 0.68 1304.6912840 5.14 1305.7452390 1.74 1307.4786380 1.30 1308.6893310 0.19 1310.2825930 0.48 1311.5108640 0.17 1312.3021240 0.42 1314.6533200 1.64 1315.5823970 0.61 1316.7186280 2.32 1319.2130130 3.19 1320.6553960 0.67 1322.2794190 2.37 1323.4643550 2.19 1324.1950680 1.56 1324.9853520 0.17 1327.0700680 0.62 1328.2796630 2.27 1330.9976810 2.46 1332.6007080 8.69 1333.3931880 1.46 1334.0382080 0.35 1335.3898930 1.08 1336.9960940 0.81 1337.8613280 2.39 1339.1298830 1.05 1340.1749270 0.79 1342.0227050 2.22 1343.2586670 2.43 1344.1142580 3.15 1345.4655760 2.98 1346.2785640 0.83 1347.7733150 3.35 1348.6824950 2.25 1349.6781010 1.38 1352.0369870 0.63 1353.3912350 1.97 1354.2709960 1.32 1355.3365480 2.51 1356.3099370 1.51 1358.5992430 1.02 1359.5229490 1.44 1361.8719480 4.75 1364.6170650 0.12 1366.3026120 5.03 1367.7824710 4.65 1369.3240970 0.20 1371.0667720 6.45 1372.2642820 7.97 1374.7982180 1.83 1376.1636960 1.12 1376.9815670 3.29 1378.4489750 1.19 1379.5601810 8.15 1380.8280030 19.43 1381.7239990 2.32 1382.8516850 2.08 1384.5581050 1.34 1385.2347410 0.57 1386.2304690 0.86 1387.6259770 2.09 1388.8713380 1.60 1389.9525150 1.91 1390.8819580 2.43 1391.6990970 0.45 1392.5490720 0.49 1393.2587890 0.69 1395.6069340 2.48 1397.1806640 3.99 1398.5588380 2.02 1400.0841060 2.67 1400.8984380 2.20 1402.2845460 1.30 1402.9553220 1.60 1404.0644530 5.55 1405.1693120 3.37 1406.1612550 4.43 1407.1995850 2.26 1408.6590580 2.02 1409.6563720 4.96 1411.3361820 2.46 1412.5178220 3.55 1413.5614010 2.17 1414.9478760 2.44 1416.1309810 2.20 1417.1419680 1.22 1418.2319340 2.49 1419.3536380 4.19 1420.8327640 9.82 1422.4388430 3.63 1424.3236080 6.25 1426.5943600 2.03 1429.2221680 5.20 1430.4743650 1.80 1432.1103520 0.75 1433.2434080 2.46 1434.2398680 3.34 1435.2606200 1.91 1436.4481200 1.19 1437.9047850 28.09 1438.6906740 9.99 1439.3713380 6.15 1440.2861330 4.32 1441.1424560 1.12 1442.2205810 1.80 1443.5187990 3.97 1444.1385500 2.80 1446.7601320 4.66 1447.9062500 2.32 1448.7666020 0.79 1450.0181880 1.55 1451.3729250 1.01 1452.6801760 4.95 1453.8631590 3.27 1454.9924320 8.32 1455.8280030 12.40 1456.8076170 2.22 1458.3759770 5.36 1459.6049800 1.62 1460.4752200 1.42 1461.0844730 3.39 1462.3540040 14.63 1463.1578370 2.44 1464.2585450 5.50 1465.3306880 1.97 1467.0572510 4.07 1468.2501220 3.90 1469.2725830 4.53 1470.1646730 1.45 1470.8758540 1.03 1472.0023190 0.74 1472.6545410 0.75 1473.3411870 1.41 1474.8613280 1.87 1475.8399660 1.66 1478.4381100 4.11 1481.3465580 2.93 1482.1748050 3.48 1483.1151120 0.94 1484.5965580 4.76 1486.0644530 0.49 1488.2645260 1.13 1490.0448000 9.40 1491.2775880 8.92 1492.8590090 16.72 1493.6832280 5.63 1497.3326420 7.43 1498.1505130 3.64 1499.2211910 3.36 1500.8131100 0.61 1501.8460690 5.10 1502.9432370 2.68 1503.8001710 6.87 1505.5289310 0.79 1508.2047120 2.66 1510.4791260 2.38 1512.2850340 0.53 1517.1193850 0.94 1518.1898190 3.66 1518.8631590 0.41 1522.6341550 0.24 1526.4677730 1.21 1531.2093510 2.64 1532.1324460 0.87 1535.3179930 0.64 1536.1799320 1.48 1537.1959230 1.03 1544.0526120 0.48 1550.0352780 1.23 1557.4478760 1.65 1574.1295170 1.27 1577.4748540 0.19 1600.6362300 0.16 1602.8372800 0.17 1609.6352540 0.45 1615.6884770 1.14 1661.5456540 0.77 1683.8963620 0.94 1692.0271000 0.45 1736.2293700 0.12 1743.7769780 0.38 1770.6876220 0.28 1772.8702390 0.25 1774.7082520 0.28 1790.7730710 0.24 1809.6712650 1.12 1840.8802490 0.34 1844.3518070 2.12 1854.8360600 0.25 1866.8621830 0.20 1870.4198000 1.76 1876.5554200 0.67 1940.9390870 0.58 1979.7227780 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 727.2576 Annotation Unknow Peak:m/z Relative Intensity 239.5055847 0.22 256.2434692 0.38 265.3713989 0.06 269.1646423 0.11 271.9693604 0.27 273.2550049 0.19 278.7479553 0.13 281.1104736 0.12 290.4960022 0.55 302.2072754 0.04 313.3943787 0.44 329.8460388 0.50 330.4844971 0.52 338.2321777 0.12 345.1934814 7.82 349.3164673 0.26 354.2320557 0.26 359.3054199 0.14 361.2390747 0.29 371.3095093 0.06 372.4517212 0.23 375.1140747 0.39 383.1740112 0.75 447.2622070 0.52 452.6340942 0.09 454.4306030 0.51 455.0493164 0.09 459.2779541 0.12 509.3118896 0.21 530.2823486 0.07 537.4408569 0.05 543.8393555 0.08 555.5398560 0.26 562.5664673 0.31 574.3386841 6.20 583.5518188 0.13 591.5287476 0.50 605.4143677 0.17 623.5023804 0.45 625.5927124 0.44 633.5145874 0.28 636.2861938 0.42 641.4036865 0.33 651.2657471 1.01 676.9589844 0.38 680.2952271 0.17 681.0624390 0.68 681.6997070 0.05 682.3427124 0.05 683.4461060 1.39 690.5067139 0.34 695.2343140 100.00 709.1235962 2.99 712.6460571 0.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 357.25 Annotation 13,14-dihydro-15-keto Prostaglandin E1-d4 Peak:m/z Relative Intensity 118.6559906 0.19 130.0897522 0.57 133.2508698 0.40 141.3615723 0.27 145.1663818 0.68 156.9301758 0.40 171.1399384 2.39 172.9847412 2.20 185.1948395 2.94 187.2220459 2.90 199.2519073 0.58 201.0171814 1.19 203.2762756 1.44 204.8834534 0.27 211.2974243 0.32 213.2428894 3.16 214.975708 2.48 219.2214355 0.24 223.3970032 0.22 229.1738586 3.14 231.2693176 0.42 241.2360535 0.39 243.2313538 3.36 245.4559021 0.25 255.1829224 2.89 257.2015991 5.57 259.3467407 0.59 261.309845 0.25 263.2850647 4.39 269.1644897 0.38 270.2046509 0.32 271.2009583 2.40 281.3625183 0.49 282.3442383 0.31 283.1439209 2.75 285.2397156 5.91 287.487854 1.24 291.2591248 0.56 293.1210938 0.81 295.2911377 1.66 297.39328 5.24 299.4714966 7.57 301.2720337 1.40 311.1402588 3.03 313.1222839 3.01 314.3752441 1.15 315.3992615 2.79 321.3610535 1.87 323.4015503 5.32 325.3239136 1.57 329.3760376 1.48 337.0863647 0.59 339.2504883 100.00 340.2145996 0.51 341.4007263 37.58 342.2180176 68.86 343.2441711 5.72 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 447.1504 Annotation Barlerin Peak:m/z Relative Intensity 142.8390656 0.05 165.3130188 0.02 180.9960175 0.04 193.3164062 0.02 223.3453064 0.02 239.3012085 0.02 241.0581055 0.09 245.2761230 0.01 267.2760315 0.07 270.4033813 0.01 274.3129578 0.02 283.0535278 0.10 288.4175415 0.04 293.0988770 0.01 294.3593445 0.03 315.1504517 0.10 324.3767090 0.11 331.3139343 0.18 343.4526367 0.08 357.3114319 0.11 358.4545898 0.03 367.5686035 0.02 373.0754089 0.02 383.1602783 0.03 385.3217468 0.14 387.4284363 0.05 389.0383606 0.01 399.2419739 0.02 401.2326965 100.00 401.8359070 0.14 403.1878052 0.05 409.8993835 0.01 411.2604675 0.12 429.2651672 0.27 430.3047180 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 711.1525 Annotation Fucophlorethol-B octa-acetate Peak:m/z Relative Intensity 198.9301910 0.05 201.0446930 0.01 203.0970459 0.04 203.9997864 0.05 205.0305786 0.05 207.0559540 0.07 211.0464172 0.07 212.1764832 0.11 212.9910583 0.01 213.9632874 0.10 215.0234833 0.09 216.0695190 0.07 217.0370178 0.20 218.0778351 0.01 219.0972290 0.21 223.1288452 0.01 225.1376343 0.02 226.2105713 0.05 227.0411072 0.30 228.0052795 0.05 229.1855011 0.06 231.1510468 0.20 232.1549683 0.34 233.2163391 0.03 234.9033966 0.02 239.1347046 0.11 241.1632385 0.03 242.1765442 0.07 243.0886383 0.45 244.0547485 0.09 245.1952820 0.04 247.4082184 0.02 255.1586761 0.19 256.0847168 0.02 257.0556335 0.01 258.3134155 0.01 260.0767212 6.02 261.1719971 0.46 267.0700684 0.21 270.1093445 0.12 271.1696777 0.76 272.9867249 0.68 273.6878662 0.00 281.1385193 0.08 285.2273865 0.02 287.1500549 0.16 289.1651001 0.55 290.1179199 0.06 291.2089844 0.57 298.0245361 0.02 299.1430054 1.45 301.1085510 0.10 307.1731873 0.04 313.2201233 0.19 314.1936340 0.16 315.2202148 0.03 316.1802368 0.05 317.1099243 0.63 327.2235107 0.12 329.0894775 1.16 331.1209412 0.01 335.0557251 1.86 341.4798584 0.04 343.2816162 1.51 344.1526489 10.73 345.2821655 0.09 347.5034485 0.03 353.0650024 11.40 353.6769409 0.05 359.1519165 100.00 360.0175171 0.02 383.2119751 0.11 429.9326782 0.01 447.0631104 0.05 448.5117188 0.01 521.3717041 0.03 529.4351196 0.03 534.4297485 0.04 535.2289429 0.01 548.8742065 0.02 551.6129761 0.01 577.2880859 0.08 593.3170776 0.02 595.6821289 0.03 645.0130615 0.04 652.8718872 0.05 674.2354126 0.03 692.4469604 0.11 693.3753052 0.01 701.2056274 0.06 711.3328247 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 694.16 Annotation Unknow Peak:m/z Relative Intensity 201.2731934 0.03 203.9500122 0.12 207.1617737 0.01 209.3685913 0.21 213.1180725 0.10 213.8650513 0.09 215.2347717 0.16 219.1875916 0.13 223.2438507 0.10 226.2014771 0.17 231.3485870 0.05 233.2110291 0.04 237.2367859 0.03 241.1179962 0.06 247.4411621 0.14 251.2685852 0.32 253.0097809 0.12 254.0473175 0.05 255.2249298 0.48 256.2671509 0.03 257.0828857 0.11 259.0853882 0.24 261.2739563 0.10 265.2349548 0.38 267.1605835 0.27 269.2231445 0.06 271.2650146 0.09 273.3666687 0.22 277.2390442 0.02 279.2504272 0.02 283.1720276 0.81 284.1082153 0.05 285.2666626 1.57 286.1246338 0.33 287.3105164 1.47 288.4379272 0.07 290.8966675 0.14 291.9941406 0.06 293.2420044 0.25 295.4692383 0.02 297.2489319 0.09 299.2758789 0.22 300.5224915 0.04 301.3108521 0.62 302.3027344 0.07 303.1926880 0.39 304.5011597 0.19 305.3521729 0.09 307.2825012 0.03 309.5725708 0.06 311.1920166 0.31 312.2606812 0.02 313.2811584 0.08 315.3197327 0.29 317.2418823 0.15 318.2514038 0.07 319.3239136 1.08 320.1839600 0.03 322.2109070 0.02 323.1027832 0.06 325.2341309 0.22 329.1969604 0.27 332.3707886 0.02 333.2749939 0.08 335.3235474 0.62 337.1507263 1.03 338.3853760 0.03 339.3761902 0.09 343.4299316 0.04 345.5020142 0.04 346.1369629 0.13 351.2548218 0.13 353.2270508 0.08 355.5198364 0.34 357.4351807 0.15 359.0584717 0.15 361.3432007 1.01 363.4217529 0.27 367.6253052 0.10 371.2277222 0.45 373.3435059 0.99 374.3183594 0.25 379.3560791 0.16 381.5170288 0.40 383.2717285 0.17 385.6340332 0.04 389.2879639 0.08 389.9154053 0.03 391.3703003 2.93 392.3619385 0.24 397.3820190 0.12 399.5386353 0.90 403.3538818 0.02 408.2695923 0.04 409.4450073 4.52 410.3004150 0.28 413.5770264 0.12 415.5250854 0.32 425.3637695 0.03 427.3902588 20.71 428.2160034 0.55 429.2982788 0.15 442.5368652 0.03 445.3378296 100.00 446.4312134 2.36 461.8325806 0.03 465.3525391 0.25 467.1979980 0.23 472.2053833 0.01 473.8248901 0.05 484.0634155 0.11 484.9110718 0.12 487.4018555 0.10 493.3636475 0.03 496.2600708 0.07 498.4118652 0.12 499.2254028 0.05 500.3906860 0.02 501.1114502 0.10 504.1975098 0.33 505.2899780 0.02 508.2835083 0.22 510.3509521 0.13 512.1955566 0.03 516.0892944 0.07 517.3577881 0.02 518.4306030 0.21 520.1822510 0.10 522.1918335 0.29 524.3438110 0.21 525.1039429 0.09 528.1385498 0.34 532.4365845 0.10 536.2100220 4.34 537.3196411 0.65 540.0905151 0.21 541.4406738 0.02 544.4030151 0.03 546.6060181 0.03 547.2320557 0.14 550.6063843 0.17 553.0851440 0.04 553.9978638 0.22 555.1860962 0.08 568.1447144 0.16 586.7601929 0.03 588.3591919 0.09 589.2296753 0.23 598.2537842 0.11 599.3095703 0.35 600.3914795 0.12 604.8681030 0.03 605.5892944 0.03 607.1816406 0.47 608.3992920 0.11 609.1228027 0.05 613.1807861 0.77 615.4032593 0.02 617.3198853 0.66 625.3514404 1.71 626.3527222 0.03 629.6876831 0.03 631.3748169 11.04 632.4163818 0.19 634.9165039 0.36 635.6929932 0.04 639.4619141 0.29 643.2507935 7.05 644.4175415 0.49 647.2001953 0.40 648.2278442 0.04 649.1985474 0.04 650.5455322 0.02 657.3297729 17.25 658.3855591 0.28 661.2493286 8.99 662.3309937 1.53 663.4795532 0.09 665.4732056 0.32 675.2555542 82.76 676.3259888 2.11 677.0390625 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 754.562 Annotation Unknow Peak:m/z Relative Intensity 226.4714355 0.24 227.2099304 0.46 228.1541443 0.02 235.2429047 0.19 256.0223999 0.03 256.9068909 0.03 281.2014160 0.09 306.9904175 0.09 313.6270142 0.03 314.3812256 0.06 315.0444336 0.04 316.2175903 0.06 326.1245728 0.36 327.2348633 0.02 334.0253296 0.06 350.2572021 0.06 371.3798828 0.17 383.3704834 0.02 396.2913818 0.10 399.1737671 0.03 424.2171021 0.03 446.2114258 0.12 473.1354370 0.07 481.2935791 0.02 487.0498047 0.05 520.4349976 0.20 526.2722168 0.07 529.5817261 0.04 545.3327637 0.02 548.9052124 0.02 549.5833130 0.03 560.4495850 0.12 578.2439575 0.13 579.3815308 0.08 584.3681030 0.06 594.5863647 0.10 599.8051147 0.20 613.4879150 0.03 639.9000244 0.13 664.6520996 0.16 666.4279175 0.06 674.4321289 0.28 679.5573120 0.03 688.2277222 0.24 690.7404785 0.10 691.7905884 0.10 695.2905884 0.08 698.3025513 1.21 699.3239746 0.08 705.3336182 0.20 710.1785278 0.13 714.8682861 0.21 718.8287964 0.07 719.5237427 0.24 721.3673706 0.19 722.3132935 0.15 723.7109985 0.02 724.3822632 0.02 726.3181763 1.53 727.1610718 0.07 728.9740601 0.38 730.2438354 0.49 736.6710815 0.02 737.3890991 0.25 738.7151489 0.20 742.7948608 0.05 743.5808716 0.09 745.8272095 0.79 755.1914673 0.03 783.3547974 0.16 787.5178833 0.28 789.5550537 0.02 798.3794556 0.33 815.7235718 0.36 821.0142212 0.19 821.8296509 0.21 824.8933716 0.03 825.9547119 1.31 845.6470337 0.09 851.9147339 0.30 856.4682617 0.23 857.4053955 0.61 859.7011108 0.83 862.6347046 0.23 867.8301392 0.36 873.4461060 0.58 878.5161743 0.23 881.9483032 1.36 882.6176758 0.12 883.2583008 0.12 885.2179565 0.11 887.4740601 0.39 888.1369629 0.27 889.9220581 0.18 891.7498169 2.41 892.6445312 4.20 893.5199585 0.19 894.4860840 0.10 897.8500977 16.00 898.6503906 1.17 899.8105469 0.05 900.5864868 0.08 901.5165405 0.19 910.2527466 0.12 912.7583618 0.05 914.4816284 0.16 919.1398315 0.01 919.7568359 0.16 920.4592896 0.19 922.4164429 0.16 924.7286987 3.72 925.3422852 2.35 926.4021606 0.15 928.6718140 0.16 930.1125488 1.31 930.8688965 100.00 932.2539673 0.81 933.2390747 0.51 934.2538452 0.13 935.6604614 0.06 939.7579956 0.09 942.2310181 0.06 952.1550903 0.12 956.3726196 0.24 957.3490601 3.18 958.2211914 0.51 959.0263062 0.25 959.7653809 0.14 961.4840698 0.88 962.6067505 2.27 963.3312988 0.54 966.3383179 0.02 967.9163208 8.05 968.6142578 4.23 969.7741089 0.30 972.4074707 0.05 974.0173950 0.22 978.3624878 0.04 986.3203125 0.02 989.3864746 0.09 996.3227539 0.17 997.0236206 0.03 1006.0686040 0.12 1020.3803100 0.07 1037.9343260 0.10 1039.8167720 0.05 1094.6052250 0.21 1103.5893550 0.03 1110.3215330 0.06 1121.5961910 0.07 1147.9274900 0.41 1148.7868650 0.06 1171.4639890 0.18 1181.0950930 0.34 1189.6800540 0.03 1196.2019040 0.07 1196.9050290 0.12 1202.6442870 0.10 1206.0203860 0.39 1215.5686040 0.19 1220.4251710 0.42 1221.0891110 0.24 1221.7692870 0.18 1223.3134770 0.02 1224.2520750 0.39 1238.4803470 0.92 1239.1386720 0.71 1240.2183840 0.15 1241.5169680 0.03 1252.0043950 0.04 1260.2097170 0.21 1261.2142330 0.10 1265.3173830 0.08 1267.5682370 0.04 1270.0402830 0.09 1274.6976320 0.72 1276.1619870 0.11 1279.0289310 0.08 1280.5422360 0.02 1284.3796390 0.20 1288.8778080 0.87 1297.8762210 0.15 1322.1519780 0.72 1323.0946040 0.09 1329.2115480 0.38 1334.4505620 0.30 1338.0653080 0.34 1342.3848880 0.04 1377.7775880 0.06 1379.5529790 0.09 1394.2749020 0.19 1473.5526120 0.09 1532.9381100 0.04 1588.9349370 0.10 1601.9923100 0.05 1603.5100100 0.05 1644.7789310 0.08 1651.9444580 0.05 1744.0303960 0.09 1775.6285400 0.11 1785.8864750 0.12 1800.0651860 0.02 1843.8962400 0.12 1847.3542480 0.04 1852.5777590 0.02 1911.9968260 0.07 1918.0435790 0.09 1950.9486080 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 785.178 Annotation Quercetin 3-rutinoside-7-glucuronide Peak:m/z Relative Intensity 221.7096863 0.19 225.0707245 0.28 226.0955353 0.65 227.0337982 1.91 228.1420288 0.43 229.0980835 0.81 230.9885864 0.44 237.3331299 0.19 238.0525818 0.12 239.0207062 0.13 240.1879272 0.85 242.1158600 0.06 243.0516205 0.97 245.1036987 0.45 247.0617981 0.30 253.1773224 2.72 254.0581665 0.45 255.2622528 1.81 256.1127930 0.62 256.8453979 0.22 262.9235535 0.10 268.0892029 0.16 268.9853210 0.72 270.5204468 0.47 271.1528625 2.84 272.0937195 0.17 272.9685669 0.20 275.1840820 0.18 279.2369080 0.51 281.1646423 1.10 282.9882812 9.67 284.1956787 1.23 285.1311035 0.95 293.9752197 0.10 295.1441345 1.59 297.0084229 5.83 298.1737976 1.71 299.0614624 8.29 300.1592407 2.39 301.1336670 9.37 302.1582031 1.29 307.1815186 0.31 308.0163574 0.20 309.0233459 1.87 311.0531311 1.33 313.0096741 0.63 314.3195801 0.17 319.3031616 0.28 320.3572998 0.25 323.0669250 0.76 324.1306152 0.31 325.1571045 3.65 326.3606873 0.15 328.0442810 100.00 329.1044312 95.73 330.1759033 6.96 331.0038147 0.11 337.0733643 1.18 338.2772522 0.84 339.0842896 1.11 340.9976501 0.56 342.2669678 1.36 343.1517334 1.18 346.9501038 0.47 349.2782288 0.24 351.4163208 0.12 353.1162720 6.44 354.1842041 1.90 355.1883545 0.50 356.2814331 0.12 357.3053589 0.10 359.2255554 0.35 360.7673035 0.12 361.9321899 0.16 364.9806519 3.26 366.0535278 0.27 367.2002563 0.12 369.1801758 1.49 370.2156982 1.39 371.1166992 33.76 372.1813354 5.41 373.1694336 1.60 374.0478821 0.39 377.1102295 1.97 383.1470337 6.06 384.4515991 1.04 385.2889404 0.58 391.0943604 0.07 393.0095825 0.77 395.2100830 4.05 396.1137695 0.22 397.0492554 0.17 399.1597900 0.79 400.1314697 0.73 401.1336670 6.47 402.0500488 1.63 409.1851807 0.90 410.0697021 0.20 413.2626953 1.40 414.4063721 0.24 419.2896118 0.99 420.2272949 0.13 427.3606567 0.22 437.1765747 2.26 438.2962036 0.65 443.1757812 1.25 445.0612793 0.62 447.3264160 0.63 448.2934570 0.25 455.1493530 0.86 458.3322144 0.28 459.2531738 0.59 461.2331543 0.66 473.0376587 1.22 475.2919922 0.75 481.4135132 0.22 487.2974243 1.11 500.1722412 0.05 503.2100220 38.98 504.2534790 7.22 517.3430786 0.48 520.5800781 0.13 534.2059937 0.26 540.5731812 0.32 546.3189087 0.48 553.1909790 0.35 555.3363037 0.13 562.3214722 0.31 563.1591187 0.23 572.2564087 0.40 573.5809326 0.18 576.1328735 0.32 577.1514893 0.57 578.1998901 0.72 591.1390381 0.64 594.3850098 0.65 598.9767456 0.31 605.5745850 1.14 606.2920532 0.46 607.2818604 0.67 609.1627197 0.18 617.3450317 0.92 619.3791504 0.51 620.4942627 0.09 623.2617798 6.72 624.2450562 0.55 635.2153931 34.66 636.3024292 12.13 637.3122559 0.17 638.2239990 0.15 642.3838501 0.19 646.3856201 0.14 653.1767578 64.04 654.2846069 21.35 655.1569824 1.50 658.4745483 0.28 665.5063477 0.47 671.3585815 0.13 677.5298462 0.46 682.3555298 0.07 695.4719849 1.14 696.3264771 0.38 711.2785034 0.57 719.5945435 0.07 739.5309448 0.44 740.2554321 0.69 741.5834961 0.91 767.2515259 1.30 768.4432983 0.35 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 377.09 Annotation Unknow Peak:m/z Relative Intensity 112.9852600 0.19 119.1176224 0.03 178.9438782 0.37 197.1003418 0.53 215.0782928 9.20 281.3486938 0.02 297.1461182 0.03 341.2532654 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 457.1114 Annotation Flavin Mononucleotide Peak:m/z Relative Intensity 135.1313019 0.01 146.9034576 0.02 148.1546936 0.02 171.2564392 0.01 173.1543579 0.02 179.1217957 0.01 183.6746521 0.09 196.9510193 0.04 202.1013947 0.02 203.8515015 0.01 205.1264648 0.05 206.3843994 0.01 208.2718201 0.01 209.3734741 0.01 218.4090576 0.03 219.0767517 0.06 221.2605896 0.06 227.2438202 0.06 230.1657715 0.03 232.2259827 0.02 234.2734680 0.04 243.3190918 0.18 253.0636292 0.02 259.0715332 0.05 261.2587891 0.01 262.8561096 0.03 268.0964661 0.01 269.5741272 0.01 270.8369751 0.03 277.4089050 0.01 279.0206909 0.01 280.1808472 0.02 282.1457825 0.03 283.3920288 0.02 292.8492737 0.01 294.2104492 0.03 295.2509155 0.02 297.1486816 0.04 299.4266968 0.01 300.0405884 0.02 301.0332031 0.02 301.9152222 0.04 303.3392944 0.08 304.1733704 0.01 305.2915344 0.02 306.5110474 0.01 307.4892578 0.03 308.2527466 0.02 310.4105835 0.02 315.0899658 0.01 318.1274719 0.02 318.9380188 0.01 323.1204529 0.08 323.7352905 0.03 324.3894348 0.02 327.1922607 0.02 331.4783020 0.01 337.5627136 0.04 338.2597046 0.02 340.4722595 0.10 341.2376099 0.05 343.9696045 0.02 344.6131592 0.04 351.6258850 0.06 353.1185303 0.02 357.5856934 0.04 359.2503662 2.78 359.9183655 0.00 366.3475952 0.01 367.3663940 0.02 369.2277832 0.01 371.3286438 0.03 372.4518433 0.01 373.9444885 0.03 376.1219177 0.09 377.4282532 0.05 379.2637634 0.03 381.0628357 0.01 389.1716003 0.02 390.7574463 0.02 393.4507751 0.06 396.2555237 0.08 397.1210632 0.01 397.8205261 0.04 398.5290833 0.02 404.6192627 0.01 411.1000366 0.48 414.2776489 1.23 415.4942627 0.03 419.0654907 0.11 420.2835388 0.06 421.2021790 0.33 422.4947205 0.01 423.3448486 0.05 426.7672424 0.03 429.1293030 0.04 434.2372742 0.08 436.0323181 0.02 437.2189636 0.03 439.1887512 100.00 440.1934509 0.77 443.2055054 0.04 445.4054260 0.01 447.9624329 0.05 454.3572083 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 271.228 Annotation 2-hydroxyhexadecanoic acid Peak:m/z Relative Intensity 115.0157623 0.10 138.8976746 0.09 165.1595001 0.28 171.055954 0.20 177.1926727 0.07 179.2962189 0.04 185.0647583 0.06 187.0625153 0.17 189.0935516 0.04 191.1385193 0.05 193.2863007 0.11 195.0991669 0.05 197.395813 0.06 199.2657318 0.10 201.2877197 0.05 209.1585693 1.61 209.9547119 0.21 211.4842224 0.26 213.1836548 0.13 216.1668549 0.08 217.0321808 0.19 223.1522827 0.23 225.2239227 100.00 227.1815338 1.76 228.1383667 0.18 235.4359589 0.13 238.3272552 0.13 239.3721161 0.06 240.0523529 0.04 241.1439362 0.04 243.0402374 0.24 253.2158966 6.31 255.1194916 0.58 256.2079163 0.36 268.6801147 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 801.3033 Annotation 2'''',2''''',2''''''-Trihydroxy-5''',3'''',5'''''-tribenzylisodiuvaretin Peak:m/z Relative Intensity 230.0670776 0.02 233.0791473 0.04 249.1198273 0.05 267.1891479 0.08 269.1910706 0.06 270.0168457 0.08 273.0115662 0.05 282.1054993 0.08 285.3155823 0.08 287.1520996 0.48 299.1371765 0.07 301.3307190 0.22 302.2903748 0.29 303.3831177 0.12 310.0991211 0.02 315.1893005 0.20 317.1754150 0.15 323.3173218 0.05 326.1602783 0.07 329.2395630 0.53 330.0831299 0.38 331.1960754 0.03 337.4609985 0.02 344.2178955 0.55 345.1299438 1.30 353.5730896 0.05 357.2915649 0.06 369.2676392 0.07 375.4520874 0.79 387.1578369 0.30 395.8259277 0.02 401.2633667 0.06 411.4759521 0.03 418.2177734 0.02 427.2572021 0.10 429.2167358 0.07 438.3358154 0.09 441.3855591 0.08 445.3178711 0.59 452.0760498 0.05 453.1956787 0.28 463.3013306 1.24 464.6111450 0.09 469.3269653 0.02 479.4361572 0.02 489.4042358 0.24 492.5162354 0.05 493.5183105 0.09 507.4066772 0.02 509.3555908 0.03 510.6440430 0.04 519.1287231 0.08 529.4705811 0.03 530.6875000 0.13 533.2633057 0.04 550.4747314 0.08 551.3768311 0.42 561.4389648 0.06 565.2536011 0.04 577.3925171 0.06 589.3439331 0.26 590.1261597 0.15 591.5607300 0.03 594.6813354 0.06 596.1716309 0.05 597.3149414 0.13 601.2650757 0.03 603.6907349 0.13 607.3474121 1.92 615.4221191 0.14 620.1973267 0.07 621.3596802 0.20 625.3622437 100.00 626.0044556 0.21 638.5274048 0.06 639.3638306 0.06 645.2146606 0.12 651.2219238 0.71 654.4633179 0.07 655.3159790 0.38 658.3933716 0.02 661.1672363 0.07 665.6304321 0.02 667.3389893 0.34 668.7355347 0.41 669.3824463 1.04 670.4559937 0.07 676.3256836 0.07 677.4636841 0.34 679.1257935 0.61 679.8143921 0.06 682.1196289 0.16 683.4220581 0.26 695.6519165 0.04 699.4857178 0.07 703.4547119 0.18 714.8037720 0.13 721.0965576 0.47 721.8278198 0.23 723.3012085 0.06 727.4822388 0.04 736.6614380 0.03 738.3558960 0.07 739.4312134 2.66 740.2682495 0.03 741.5499878 0.47 756.2763062 0.20 757.4720459 0.20 765.4614868 0.42 769.1978149 0.52 770.3714600 0.21 783.3986206 10.31 784.6264038 0.02 785.9963989 0.32 786.6303101 0.07 812.3193970 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1303.56 Annotation Taxchin A Peak:m/z Relative Intensity 437.3415833 0.73 455.4201660 2.34 468.8521118 0.45 501.6502991 1.04 626.8072510 0.09 909.8381348 0.48 953.8511963 0.79 955.6743164 0.57 995.5662842 12.78 997.4771729 11.92 1091.5043950 0.51 1111.8502200 0.22 1155.7543950 0.34 1173.6140140 100.00 1201.2443850 0.57 1258.9719240 0.31 1259.8389890 0.40 1285.5312500 6.87 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 455.1767 Annotation Unknow Peak:m/z Relative Intensity 142.9905548 0.19 148.9112244 0.27 161.0265350 0.37 221.1482086 0.24 234.9220428 0.06 240.8060608 0.04 251.1429138 0.11 256.3841248 0.14 257.4031067 0.04 267.1116943 0.07 267.8856506 0.05 271.0639954 0.06 272.2399292 0.31 278.3622437 0.05 287.9907227 0.17 292.1513672 0.05 293.1854858 0.54 293.9808350 0.07 301.5858765 0.07 308.2337036 0.10 310.0241699 0.04 311.0621643 4.10 313.3435364 0.10 316.2085266 0.11 323.3672485 0.28 332.8809204 0.05 334.1278076 0.61 343.2759094 0.10 358.1849365 0.08 359.2386475 0.19 363.0185242 0.39 371.3041992 0.07 383.3595581 0.22 387.2188110 0.10 389.3681946 0.29 393.4073486 0.04 397.4219055 0.23 409.2560120 100.00 410.8437195 0.08 411.4467468 0.23 412.1265564 0.06 417.1278687 0.08 418.9645691 0.72 419.6069946 0.07 423.6753235 0.19 428.4416809 0.20 437.1992493 0.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 523.1439 Annotation Sudachiin A Peak:m/z Relative Intensity 211.2700195 0.02 212.1211243 0.01 229.1296844 0.03 253.5269775 0.02 254.7607574 0.03 255.8020020 0.01 283.2900391 0.03 286.3588867 0.02 297.2227783 0.05 307.0600586 0.05 310.2050781 0.05 312.7202148 0.02 314.0612183 0.05 315.0571289 0.03 332.0409546 0.05 337.2602539 0.28 338.3909302 0.04 342.0072021 0.03 347.2373047 33.93 348.2211304 0.22 354.9656982 0.09 358.3883057 0.01 361.1853638 100.00 362.0043335 0.01 366.8078613 0.03 369.1398926 0.06 369.9969482 0.02 373.3911743 0.02 374.0809937 0.01 380.5792236 0.05 389.2661743 0.01 408.9758911 0.06 416.9447632 0.01 420.5867920 0.04 426.4251709 0.12 435.4104614 0.01 436.1735229 0.03 473.2998657 0.04 476.9446411 0.02 478.5432739 0.06 487.4175415 0.07 490.2475586 0.58 491.3147583 0.51 494.4271240 0.06 504.7125854 0.60 505.6072388 0.18 511.0819702 0.04 514.7535400 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 474.2623 Annotation LysoPE(0:0/18:3(9Z,12Z,15Z)) Peak:m/z Relative Intensity 140.1445007 0.08 153.0181732 0.06 196.1015625 1.65 205.2349548 0.04 210.3369751 0.02 214.0599670 1.45 233.3073578 0.40 241.3367920 0.04 252.3810730 0.15 257.0030212 0.04 259.2857361 0.32 261.0895081 0.03 262.0982666 0.03 275.4103699 0.55 277.2471924 100.00 277.8498535 0.43 298.0783691 0.04 316.4001465 0.11 332.1293030 0.10 334.3726501 0.07 336.1501465 0.03 346.4780273 0.08 384.2856750 0.03 389.4617004 0.15 396.2296448 0.03 398.3721924 0.03 411.8271179 0.04 413.3352356 0.55 421.2158508 0.02 428.1703796 0.10 429.9363098 0.38 431.1772766 0.10 438.1210938 0.16 439.3569031 0.08 441.1458740 0.13 447.1492004 0.04 454.0398560 0.09 455.4188538 0.21 456.6875305 0.11 457.4402161 0.31 458.1609802 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1183.5308 Annotation Unknow Peak:m/z Relative Intensity 358.1155396 0.07 367.1733704 0.04 368.9204712 0.07 373.0241699 0.08 385.3063965 0.06 396.3602295 0.17 400.4457397 0.06 413.5053406 0.16 415.2750854 0.14 426.4011536 0.11 428.5499268 0.28 429.3206787 0.20 438.2580566 0.07 440.6599426 0.08 441.9304199 0.29 443.2630310 1.82 444.0233154 0.09 445.4434509 0.29 451.6386719 0.18 452.2974243 0.10 455.3649902 0.32 456.4409790 0.25 457.2730408 0.37 458.4616699 0.31 459.3722534 0.43 467.3908386 0.21 469.1889038 0.11 471.3474121 3.86 472.3756714 1.64 473.3923035 1.75 481.2701111 0.02 482.4708252 2.63 483.4157410 0.63 485.2016602 1.11 486.1463013 0.12 487.3364258 2.60 488.3456421 0.06 496.4499817 0.39 497.3753662 7.09 498.2184448 0.34 499.5527954 3.94 500.4234619 9.70 501.4683228 0.03 504.4931030 0.09 511.2785034 0.10 513.4549561 1.93 515.3455811 100.00 516.4441528 0.62 517.4271240 0.34 518.3482666 0.14 519.8605957 0.03 530.2161865 0.14 531.4083252 0.40 532.3820801 0.52 544.3012695 0.11 545.2407227 1.47 546.3758545 1.42 547.3488159 1.46 559.2324219 20.90 561.6323242 0.08 589.0844116 0.90 591.1024170 64.55 591.8413086 0.14 592.5015869 0.26 593.5256348 0.23 626.3947754 0.04 630.5871582 0.06 665.2401733 0.25 767.8624268 0.08 907.3925781 0.15 978.8160400 0.13 999.9189453 0.05 1107.4647220 0.21 1123.6865230 0.39 1140.1895750 0.04 1147.6562500 0.13 1148.6398930 0.08 1150.9770510 0.96 1151.8004150 0.14 1152.4028320 0.03 1166.2674560 0.02 1166.9708250 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 579.2291 Annotation Unknow Peak:m/z Relative Intensity 181.2602844 0.07 191.0618744 0.06 211.0356445 0.02 220.5525513 0.03 226.4434509 0.06 265.1111450 0.04 284.8923035 0.06 305.2461548 0.02 306.4898682 0.02 312.2835083 0.03 323.4272461 0.03 343.3812866 0.16 355.0540771 0.10 358.2756958 0.06 404.1593628 0.03 405.4235840 0.06 408.6901245 0.05 412.3960571 0.05 413.1271973 0.13 417.4576416 0.12 424.3377686 0.13 433.3630371 0.26 434.3798828 0.10 445.5398560 0.07 446.8475952 0.12 449.3368530 0.02 457.0515747 0.07 462.2355347 0.04 473.1031494 0.06 475.2836914 27.95 476.3901367 2.63 481.2841187 0.06 489.0308228 0.02 491.2858887 0.11 492.3431396 0.18 497.4033813 0.18 500.1680298 0.02 507.4655151 0.15 513.3434448 0.04 515.4213257 6.65 516.3422241 0.80 522.2669067 0.04 524.9450073 0.03 533.1719360 100.00 534.1937866 6.16 535.1203003 0.16 536.4553223 0.11 541.3572998 0.17 543.1155396 0.06 544.1648560 0.07 549.4533691 0.05 561.5265503 0.64 562.4497070 0.07 570.3540649 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 273.96 Annotation Unknow Peak:m/z Relative Intensity 114.8798370 4.20 115.9694061 0.83 131.0311584 0.15 131.8798523 0.13 158.9299469 100.00 160.0164032 34.73 199.0084229 1.51 199.9724731 1.74 201.9501343 0.03 216.8944092 0.60 218.0572510 0.56 228.9235229 16.90 229.9945068 15.61 245.0628662 0.24 246.1416931 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 694.42 Annotation Unknow Peak:m/z Relative Intensity 200.9221497 0.03 201.9733429 0.12 206.3303375 0.02 211.8448334 0.16 212.9418945 0.06 219.1213989 0.08 221.0948792 0.21 223.2023315 0.15 225.0097504 0.03 238.3824158 0.08 239.1009064 0.08 241.2810669 0.05 246.9595032 0.12 250.1615601 0.13 252.8995056 0.11 253.9655762 0.07 255.3821716 0.13 256.1200867 0.24 259.1834106 0.31 260.2970581 0.14 263.9605713 0.03 265.1443481 0.11 267.3926392 0.09 269.6224976 0.10 279.1217346 0.06 282.3322754 0.10 283.1561890 0.46 285.1574707 0.26 287.2423096 0.40 290.2164001 0.04 293.6941833 0.09 300.2146606 0.70 301.1818237 0.50 302.2738037 0.10 305.4215088 0.14 307.2941284 0.03 309.3471069 0.52 311.2662964 0.18 312.4566650 0.07 313.2524414 0.20 315.6420898 0.05 318.1772461 0.02 319.2841492 1.53 320.3406982 0.17 321.0470581 0.17 323.4317932 0.10 325.2157593 0.28 326.2349548 0.07 327.2094727 0.27 328.3972473 0.33 329.2980957 0.30 330.3280029 0.14 332.1743774 0.03 334.5125122 0.03 335.3021240 0.65 336.3332214 0.03 337.1337891 0.96 337.7563477 0.14 338.3626099 0.54 339.3265991 0.03 341.2641602 0.13 342.4789429 0.09 343.1626587 0.07 346.6881714 0.13 347.5724487 0.05 351.1846313 0.07 352.8442993 0.05 355.5557251 0.10 357.0960083 0.17 358.3261108 0.27 359.3543091 0.04 362.3026123 0.17 367.4890747 0.05 369.1316528 0.13 371.3724976 0.18 373.1977539 0.08 375.1639404 0.03 381.3997803 0.07 382.2155151 0.20 388.3787231 0.15 390.8659668 0.21 394.9199829 0.03 397.9498291 0.04 399.5507202 0.09 401.5853271 0.11 404.6359253 0.05 409.3267822 1.14 410.5975342 0.13 412.6621704 0.23 415.1983032 0.13 417.0226440 0.12 419.1882935 0.22 423.6571655 0.11 427.3106079 2.58 428.4314575 1.04 429.3392334 0.03 432.3860474 0.25 433.4678955 0.07 434.7802734 0.21 437.2178345 0.10 438.3853149 0.06 439.4566650 0.05 441.3070068 0.10 442.4030762 0.08 443.3037109 0.04 445.3161011 2.84 446.3533936 1.35 448.2897949 0.50 454.3344727 0.02 456.6125488 0.11 457.2590332 0.11 461.3135376 0.02 463.2114868 0.06 466.1621704 0.07 470.0296631 0.53 474.4342651 0.01 476.5490723 0.17 478.7159424 1.18 483.3782349 0.07 484.3410645 0.04 490.1779175 0.02 491.3348999 0.59 492.1524048 0.27 492.9637451 0.08 499.3584595 0.09 500.7750854 0.51 503.4689331 0.16 507.1806030 0.10 508.5178223 0.05 509.9651489 0.06 511.4423218 0.23 512.4709473 0.12 513.6486206 0.16 514.3941650 0.52 515.7455444 0.24 516.4862061 0.06 518.4836426 0.12 520.3900146 0.47 521.0136108 0.04 521.7147827 0.18 522.8654175 0.38 524.3975220 0.24 528.0513306 0.14 529.3445435 0.22 531.0460815 0.20 532.4345093 0.11 536.3710327 1.07 537.3754272 0.40 538.2842407 0.16 539.1591797 0.03 542.6683960 0.02 543.2856445 0.04 544.8388672 1.04 547.2915649 0.05 549.2860718 0.07 550.7966919 0.13 551.5944214 0.24 555.4520874 0.07 558.2199097 0.73 560.4833374 0.10 564.6271973 0.16 565.9071045 0.12 566.8246460 1.76 567.6119995 0.10 568.3888550 0.07 572.6325073 0.05 575.8809814 0.30 577.2940674 0.05 578.3580933 0.07 579.0906982 0.19 580.2490845 0.65 587.5006714 0.20 588.8613892 2.64 590.1305542 0.10 594.2066040 0.06 597.9978027 0.11 600.0333252 0.02 601.0712280 0.39 602.2915649 0.60 603.4374390 0.13 605.9970703 0.35 608.7526855 0.05 610.8329468 2.52 611.7432251 0.16 613.0825806 0.50 613.7140503 0.10 614.4918823 0.16 615.3638916 0.06 619.7507324 0.17 621.3803101 0.41 624.2092285 0.99 625.4100952 0.23 626.5607300 0.56 627.4869995 0.03 631.5598755 0.55 632.8391724 4.19 633.4647827 1.79 634.2683716 0.04 635.4024048 0.14 637.2127686 0.14 639.1189575 0.12 640.6973267 0.11 641.9126587 4.39 643.6224976 1.21 644.3672485 0.61 646.4004517 0.47 649.1737671 0.07 651.2215576 0.05 654.6777954 0.88 655.3970947 3.11 657.2755737 2.82 658.3182373 3.40 658.9338989 0.09 661.1364136 1.71 662.1943359 1.32 662.7975464 0.02 663.9185791 3.93 665.7117920 0.11 666.6774292 0.04 667.5638428 0.11 668.2639771 0.63 675.3071899 7.63 676.3847656 13.17 677.3018188 100.00 678.2426147 0.62 678.8789062 0.05 679.6509399 0.20 681.7872925 0.12 682.9563599 0.02 684.2081909 0.24 686.8292847 0.05 693.9122314 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 465.1432 Annotation Unknow Peak:m/z Relative Intensity 160.9009399 1.17 169.0480347 1.65 177.1010284 3.60 183.2593994 2.16 205.1589355 12.06 241.0340729 100.00 242.0526886 8.47 256.9990845 24.70 259.0605469 94.12 260.2135010 6.52 285.1265259 8.08 333.6439514 1.78 353.1932983 4.82 367.1640015 13.71 368.0869141 1.52 377.2603149 7.86 379.2683411 45.58 379.9665833 1.64 381.2274475 2.11 383.2925110 1.85 393.5563965 2.28 407.1658020 38.49 408.2090759 5.69 409.0957947 4.97 410.5177917 1.58 419.4696960 3.26 421.1926575 5.47 421.8603821 1.02 423.2799072 2.29 435.2616272 6.41 437.2252197 28.25 438.3043518 1.57 447.2793274 2.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 306.0763 Annotation Glutathione Peak:m/z Relative Intensity 97.0493622 0.10 116.0348816 0.30 125.1304703 0.11 125.8432465 0.15 127.9790115 8.38 141.1801147 0.14 142.9732361 8.93 145.0447388 0.56 146.1051025 0.73 153.1288147 0.14 160.0776672 11.20 167.0397339 0.26 170.0590515 0.09 171.1827393 0.71 177.1082764 9.55 179.0013733 9.84 185.1868591 1.27 193.0442657 0.04 197.0975647 1.27 203.3145752 0.20 210.2125244 4.75 213.0559692 2.02 228.3190613 0.46 230.8965454 1.01 236.2119751 0.85 242.1486816 1.13 254.1062012 97.70 269.8865356 0.17 272.1265869 100.00 288.1429443 63.83 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 695.1246 Annotation Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside) Peak:m/z Relative Intensity 200.0451813 0.02 201.0505981 0.06 213.4254303 0.01 215.1972046 0.02 224.9260254 0.02 226.1776276 0.02 227.2308807 0.01 228.1230469 0.05 233.2089996 0.01 236.8269653 0.02 243.2547150 0.05 253.1782837 0.02 254.9515991 0.13 256.2840576 0.02 259.1688232 0.21 269.3110352 0.08 271.1096191 0.15 272.4955444 0.08 283.1743774 1.10 284.0021057 0.28 295.4219666 0.01 297.1113281 0.11 298.1704712 0.14 299.2365723 0.86 300.1425171 0.53 315.2839966 0.04 328.1104736 15.29 329.2135010 2.77 333.2110596 0.05 334.2090454 0.03 343.1168518 100.00 344.1681824 13.98 351.0726318 0.69 352.3990479 0.04 357.3703003 0.02 369.4870605 0.01 380.9468994 0.05 385.1624756 0.74 386.0466919 0.09 394.8775024 0.06 395.5118408 0.10 396.3020630 0.06 397.4138794 0.08 398.5720825 0.06 409.0459595 0.15 410.1875610 0.04 411.1773682 0.12 413.1464844 0.05 414.1574707 0.02 421.0623779 0.12 422.0863037 0.03 424.0133667 0.14 425.0092163 0.68 439.1260376 0.65 440.2566528 0.42 442.1317139 0.03 457.1447144 5.70 458.1167603 1.33 459.3494263 0.14 465.1247559 0.03 475.3110352 0.13 482.8781128 0.17 483.5221558 0.06 501.1070557 52.90 502.1093140 10.98 502.7565918 0.02 519.1136475 23.06 520.0891113 6.00 561.5632324 0.03 597.9960327 0.01 677.3933105 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 671.3648 Annotation Unknow Peak:m/z Relative Intensity 217.9526978 0.18 243.1015472 0.21 260.0707397 0.29 267.2513428 0.32 287.2767029 0.33 287.9545288 0.24 289.1494751 0.14 295.2479858 0.20 313.0639038 0.37 327.3399658 0.18 328.1483459 0.50 329.2825623 0.23 329.9896240 0.44 331.0032959 0.79 332.2252197 0.87 345.2642822 1.34 346.0017090 2.76 347.2828369 1.49 359.1642456 0.12 420.2403564 0.17 427.1525879 0.23 434.2120361 0.32 435.2968140 0.28 446.1669312 0.11 447.4349365 0.23 449.2169800 0.16 455.0870972 0.36 461.2116089 0.25 490.5400391 0.68 491.3089600 0.44 494.4204712 0.25 495.2813110 0.16 497.3187866 0.14 503.5418091 0.27 507.3415527 0.90 508.3920898 3.66 509.2711182 0.14 520.2792358 0.32 530.1748047 0.29 535.1866455 0.20 537.4799194 0.14 539.4046021 0.78 565.2678833 0.16 566.3051147 0.11 569.7326660 0.07 580.8732910 0.25 582.8848877 0.33 586.3517456 0.30 597.1071777 0.32 607.1516113 0.47 608.5607300 0.39 611.2755127 0.41 615.3944702 0.21 616.8302612 0.25 621.2889404 0.20 624.3566895 13.31 625.4308472 100.00 626.2631226 0.11 627.3168335 0.26 632.9565430 0.18 635.4667969 0.09 638.6015015 0.17 640.4315796 0.09 652.1506348 2.99 653.2058105 1.52 653.9505615 0.27 656.2655640 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 507.0972 Annotation Unknow Peak:m/z Relative Intensity 162.7302551 0.08 166.3706207 0.09 173.1839600 0.02 195.1861572 0.04 203.3506775 0.03 210.5027161 0.06 215.2551880 0.02 239.1152039 0.10 252.3943634 0.05 259.0814819 0.19 264.0355530 0.05 267.4471130 0.06 268.3540649 0.12 272.5160522 0.12 277.2567139 0.18 283.0550842 0.06 284.4992065 0.16 285.1755676 0.46 287.8472900 0.04 302.0519104 0.05 303.1575928 1.55 304.2352905 0.58 305.0868835 0.68 306.0946655 0.65 317.2032776 0.05 320.6582642 0.02 325.0588074 0.02 327.0905762 0.18 331.0365906 1.04 341.1791382 0.07 341.8865967 0.02 344.1626587 0.09 345.2043762 0.14 357.4080811 0.13 374.3239136 0.04 378.6183777 0.06 381.4615479 0.05 383.2482605 0.07 406.3230591 0.03 417.0115051 0.08 419.0736389 0.07 420.2237549 0.07 421.1027527 0.17 429.1679993 0.06 431.3663635 0.07 444.2999878 0.03 446.2395325 0.05 448.5746155 0.09 449.2088623 0.07 459.2529907 0.23 460.1886292 1.08 461.2044373 100.00 463.1838074 0.28 471.2975159 0.06 476.6617737 0.07 477.9211731 0.04 487.8912659 0.09 489.1616516 0.12 497.8771057 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 367.1607 Annotation (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] Peak:m/z Relative Intensity 107.2970810 0.06 112.8749847 0.97 114.9758835 0.04 118.2544174 0.12 119.1643524 0.05 124.9920120 0.82 128.7763672 0.18 131.0359192 0.71 141.0733643 0.03 142.9483643 0.68 145.0484009 0.11 148.9487610 0.89 158.9037781 1.44 161.0635071 11.33 186.9189453 0.12 190.9811554 0.99 205.8640137 0.11 221.3924255 0.02 233.1303101 1.42 235.1251831 100.00 238.0549011 0.05 245.2842712 0.17 247.2731628 0.06 257.2281189 0.03 273.1681213 0.06 275.3918152 0.07 277.1979065 0.82 279.1385803 0.17 280.3036804 0.23 288.3279724 0.05 293.1102295 0.88 294.7236633 0.09 320.3253784 0.04 321.2197876 0.59 322.3738403 0.22 323.3115540 0.48 331.1160889 0.37 335.0224304 0.19 336.4505920 0.06 338.5894470 0.16 340.2129211 0.13 348.4984436 0.49 349.1679382 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 999.2198 Annotation Quercetin 3-(6''''-ferulylsophorotrioside) Peak:m/z Relative Intensity 344.9180298 0.16 372.2428894 0.11 443.0477295 0.11 458.1354370 0.06 592.4928589 0.16 596.5056152 0.09 608.5639038 0.11 668.2787476 0.33 725.3807373 0.34 745.5668945 0.34 761.4504395 0.04 769.2943115 0.11 773.2061768 0.07 774.1982422 0.06 777.4952393 0.21 784.3399658 0.12 787.3079834 0.19 789.2270508 0.11 790.2717285 0.09 801.3991699 0.27 818.9923096 0.12 820.2851562 0.21 823.2110596 0.10 823.8474121 0.20 836.2672119 0.11 837.2995605 0.16 839.4196777 0.13 845.8199463 0.21 847.5006104 0.26 881.7618408 0.20 893.4836426 0.03 895.4000244 0.27 897.6645508 0.14 905.2642822 0.19 907.4407959 0.06 911.2030029 0.08 921.6151123 0.10 922.3474121 0.21 923.4338379 1.42 930.4490967 0.18 937.7495117 0.10 939.2991943 0.54 940.4991455 0.16 949.7565918 0.15 954.5267334 0.44 955.2983398 1.34 955.9140625 0.07 964.3182373 0.08 966.0708008 0.30 967.4969482 100.00 977.5151367 0.20 980.5218506 0.15 981.5437012 0.63 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 332.1331 Annotation Ciprofloxacin Peak:m/z Relative Intensity 106.115448 0.09 108.0264587 1.95 111.0986481 0.04 115.9388275 0.06 122.9549332 0.04 123.7996902 0.22 124.8477325 0.11 128.8508301 0.03 133.9676208 0.31 135.9287415 2.06 137.0550385 0.04 137.8750763 0.04 138.8462524 0.03 144.9737549 0.02 147.9103088 0.04 151.9449768 7.10 152.6149292 0.09 153.2681274 0.03 156.0644836 0.05 162.3303833 0.04 167.0600586 0.05 170.0495605 9.18 175.3933105 0.03 185.2726898 0.09 185.9727478 0.03 192.9316711 0.11 193.9313507 0.04 195.3504333 0.08 197.0815582 0.03 199.0923157 0.02 202.3862915 0.04 205.1583557 0.04 208.1447754 0.04 210.8143311 0.19 214.879425 0.16 227.3327942 0.02 230.9704895 0.01 236.0701904 0.06 242.6919556 0.05 243.3564148 0.02 245.2084351 0.17 257.4539185 0.02 272.2141113 0.12 278.2003174 0.26 286.3209839 0.26 294.805481 0.02 296.1706543 0.25 299.553894 0.20 300.1567383 0.04 314.1278381 100.00 315.1409912 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1355.5676 Annotation Hv-NCC-1 Peak:m/z Relative Intensity 389.2938843 0.14 398.4190369 0.08 399.4047852 0.30 400.2973938 0.26 402.3119202 0.11 403.4367065 0.13 405.2226562 0.13 412.4625854 0.17 413.3027344 0.34 414.5298462 0.06 416.3455811 0.72 418.4369507 0.41 419.0738220 0.19 423.3693237 0.13 424.9409180 0.54 427.3242798 0.44 430.3840942 0.20 431.4292297 0.36 438.4860229 0.14 442.3475342 0.42 443.2651978 0.36 444.9678345 1.14 448.3958130 0.38 449.2648621 0.21 453.2727051 0.11 456.3074951 0.18 460.6306458 1.16 462.0910645 2.78 471.3889160 0.44 472.3586426 0.96 474.1862793 0.60 475.9104614 0.52 480.4653320 0.52 481.3242188 0.60 488.3418274 3.34 489.3496094 6.79 490.3187561 1.98 493.4321899 0.49 495.3768005 0.18 499.6083984 0.09 503.5534668 0.10 507.3567810 0.07 513.5646973 0.27 514.4213867 0.15 520.3112793 6.63 521.2456055 2.71 522.5535278 0.12 539.3804932 0.41 541.2388916 4.23 542.4046021 2.17 544.6873779 0.31 546.4908447 0.13 549.1888428 0.41 550.3118896 0.23 555.3402100 0.33 556.4414673 0.39 557.6613159 0.30 558.4497070 0.09 560.2036133 1.01 563.3258667 0.12 566.4183350 0.52 567.3562012 0.17 568.6467896 0.13 580.8570557 0.31 581.4599609 0.07 583.3840942 1.86 584.5347900 1.31 585.4353027 8.01 586.2924805 8.56 587.1278687 0.31 591.4277344 0.14 599.3618164 1.58 600.3683472 0.33 601.4791870 0.54 602.4935303 0.61 609.4673462 0.26 610.4794922 0.32 617.2480469 14.36 618.3576660 8.93 627.3559570 8.26 628.4331055 9.46 643.4581909 0.11 645.3378906 21.76 646.3287354 17.17 646.9335938 0.36 659.2802734 6.07 660.2610474 6.29 661.0106201 0.06 675.4195557 0.56 677.3222656 97.25 678.3104858 100.00 678.9246826 0.42 1046.9406740 0.31 1048.6099850 0.07 1089.6860350 0.12 1182.7611080 0.24 1206.9747310 0.22 1264.5815430 0.09 1280.5583500 0.31 1292.6120610 0.91 1295.9217530 0.22 1312.3291020 0.16 1313.5903320 0.18 1322.9748540 1.20 1324.0451660 4.05 1324.6480710 10.31 1333.9743650 0.40 1337.5351560 1.10 1338.6389160 0.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 987.4835 Annotation Ageratoside B1 Peak:m/z Relative Intensity 305.0358582 0.20 319.3149719 0.26 322.9210205 0.11 337.4728394 0.31 353.5166321 0.31 363.2390137 0.46 365.2783203 0.31 383.4110718 0.24 393.6588440 0.11 395.3775024 0.48 405.7541199 0.65 407.4903564 0.66 421.4255981 0.30 425.4083862 0.15 439.3599243 1.45 443.5035706 1.15 451.6813965 1.33 457.4881287 2.42 462.6931458 0.15 463.3504028 0.10 465.4303589 0.13 469.3372192 1.32 481.2717590 11.28 487.4354248 100.00 488.1109619 0.27 499.2239380 56.69 543.3636475 0.26 605.3804932 0.12 627.4096680 0.25 645.3856201 0.22 661.1275635 0.24 663.4376221 0.44 776.9041748 0.34 793.4738770 0.11 807.3804932 0.20 811.5209961 3.07 817.4307861 0.16 825.7508545 0.51 826.5124512 0.06 840.5747070 0.38 855.2492676 0.48 884.4381104 0.05 899.2611084 0.22 900.8975830 0.26 907.5374756 0.68 909.3176270 0.25 942.3688965 0.28 968.6568604 0.24 969.4284668 1.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1049.72 Annotation Unknow Peak:m/z Relative Intensity 304.2216797 0.17 311.3919678 0.44 323.1624146 1.43 338.1246338 0.41 339.1741028 0.40 361.7468872 0.49 362.3594971 0.41 368.1619568 0.48 379.3862305 1.11 390.0376587 1.93 396.1347351 0.25 401.1918335 1.80 402.0388794 0.23 408.1729736 0.20 411.7642822 0.34 430.3762817 0.18 432.3714294 0.55 437.1720581 0.30 442.1183472 0.52 458.3267517 0.21 468.7155151 1.27 477.4217529 0.40 488.3961182 0.39 496.9913330 0.47 504.6029358 0.37 506.0858154 0.26 512.4902344 2.84 513.3748779 0.20 514.5977783 0.67 515.6064453 0.44 525.5003662 0.52 530.1564941 0.59 535.3568115 0.71 538.0551758 0.45 541.1582031 0.73 542.2960205 0.99 543.1271973 1.65 546.6479492 2.23 549.5656738 0.43 550.7935181 1.84 552.3856812 0.15 559.3168335 1.70 565.9487305 1.13 570.4992676 1.00 573.2012939 0.17 584.8027954 0.76 590.8959961 1.07 592.9267578 2.87 597.1252441 0.50 599.4014893 0.76 601.2860107 0.50 602.0671387 1.31 607.3891602 1.31 609.2174072 1.96 611.5054932 1.34 612.4283447 1.24 620.3685913 3.35 621.4044189 0.21 624.7102051 1.29 628.4761963 1.46 629.1343994 1.82 630.9112549 0.93 633.7634888 2.67 634.6631470 4.68 638.4426880 0.68 639.1098022 1.65 640.3236084 1.98 642.6446533 6.44 643.9353027 3.95 653.7824707 1.00 658.3057861 0.41 660.4785156 0.18 662.2537231 2.46 662.9813843 0.77 663.7199707 0.84 665.8211670 0.20 667.9874268 1.48 672.0357666 2.67 678.8613281 1.17 681.1429443 0.76 681.7995605 3.11 686.1727295 1.47 697.2946167 0.53 698.9675903 1.89 700.6004028 1.59 702.2949219 4.05 703.8594360 2.24 707.1442261 1.40 710.0350342 0.44 711.5972900 1.91 712.4030151 1.90 713.3055420 1.40 720.8489380 2.67 721.5532837 1.82 722.6018066 0.31 730.2032471 3.28 736.4161377 0.91 737.0839233 1.56 738.6385498 3.20 739.4371338 3.06 742.5800781 0.56 743.2314453 2.59 744.0472412 7.10 745.0025635 7.85 749.6491089 0.64 752.7238159 18.15 753.5621338 8.31 764.9611816 0.79 766.3564453 0.78 769.5466309 3.46 774.5565186 0.81 775.6865845 2.80 783.3177490 0.90 784.4306641 1.29 786.6311035 0.89 787.3936768 1.69 791.3038330 0.60 793.8333740 0.83 794.5495605 0.46 797.7131348 0.42 798.9130859 0.32 807.9866943 0.21 809.1680908 1.34 811.3950195 1.82 814.4747314 0.85 817.7275391 0.62 819.3808594 1.35 821.0700684 6.16 822.2681885 5.02 825.6807861 1.25 837.0238037 1.09 842.2321777 2.57 843.4656982 1.01 851.5828857 1.61 860.6970215 0.68 864.3178711 1.74 865.8034668 1.35 867.3509521 0.29 869.3251953 0.15 870.5152588 0.97 872.2916260 0.27 873.3575439 1.06 878.3006592 0.38 880.5660400 1.16 884.0056152 0.45 885.5147705 1.37 888.5606689 0.71 890.3347168 1.83 892.3859863 1.11 893.9394531 1.07 896.8134766 0.37 902.5909424 5.24 903.4760742 5.06 904.6246338 2.47 905.2924805 1.30 906.1968994 0.28 907.4248047 0.54 908.3764648 0.73 910.1330566 1.76 913.9702148 2.90 916.0830078 3.93 917.5371094 4.75 918.1855469 1.13 919.7191162 3.60 921.1086426 5.34 922.2113037 6.17 923.1582031 2.74 924.9506836 1.66 928.3498535 1.34 929.7335205 0.83 930.6614990 9.23 931.6280518 29.79 932.6395264 8.01 933.5899658 3.44 934.9758301 3.91 936.1323242 1.52 938.3350830 7.27 939.7236328 3.97 940.8564453 2.67 942.1217041 2.25 943.4926758 2.76 945.6483154 2.18 946.4162598 1.44 947.2153320 5.07 948.8875732 7.83 950.9803467 1.65 951.6633301 3.12 952.6911621 3.60 954.7144775 2.42 956.7642822 0.80 958.0820312 7.60 959.1995850 2.12 960.4063721 1.46 961.0150146 4.84 963.4710693 3.12 964.2398682 5.39 965.5822754 9.49 966.4515381 10.13 967.3923340 4.11 968.4305420 4.90 969.7600098 11.57 970.6120605 2.73 971.5593262 0.60 973.3950195 10.13 974.2502441 7.87 975.8369141 22.52 976.7032471 1.26 977.6657715 3.55 978.2785645 2.44 979.6026611 4.42 980.2066650 1.86 981.4782715 6.06 982.6240234 2.45 983.2661133 5.43 984.1123047 3.15 985.8149414 13.05 986.8984375 3.22 987.7474365 2.95 988.5810547 2.22 989.4311523 11.07 990.8239746 10.02 991.5775146 2.30 992.4941406 13.21 993.1741943 12.01 994.8688965 30.18 995.9440918 14.97 996.7808838 10.44 997.6914062 3.90 998.3557129 0.46 1000.2447510 4.84 1001.3570560 6.31 1002.4942630 3.48 1003.4207760 7.80 1004.4370120 1.93 1005.5998540 6.72 1006.5245360 3.91 1007.6069340 5.69 1008.6708980 12.27 1009.5242920 9.32 1010.4519040 4.45 1011.3800050 3.42 1012.4938960 10.97 1013.3104250 5.17 1015.1322020 50.48 1016.0015870 23.29 1016.7061770 8.34 1018.1711430 63.25 1019.0274660 26.22 1019.9542240 10.08 1021.7529300 59.93 1022.9360350 10.28 1024.1311040 73.13 1024.9014890 39.27 1026.0522460 6.22 1027.5417480 38.72 1028.2246090 100.00 1029.1510010 9.05 1030.3715820 3.48 1031.4498290 8.90 1032.5998540 3.83 1033.5433350 30.06 1034.2680660 41.71 1035.1262210 11.12 1036.5682370 1.82 1037.3510740 44.39 1038.0789790 18.22 1039.8144530 10.09 1040.9453120 0.67 1051.6942140 0.14 1052.5974120 1.46 1063.5886230 0.88 1070.6647950 0.40 1073.1313480 0.30 1074.5307620 1.20 1077.2729490 1.41 1078.8400880 2.35 1080.3576660 0.80 1082.5539550 0.30 1083.7141110 0.79 1084.4559330 1.67 1085.4730220 1.26 1086.6726070 3.05 1087.6330570 1.55 1089.5590820 1.13 1090.6459960 0.42 1092.7014160 0.70 1094.4910890 1.18 1095.5927730 0.62 1096.5483400 0.38 1098.5014650 5.34 1100.4010010 2.25 1105.3922120 0.53 1107.3505860 0.57 1115.5526120 11.16 1116.7203370 4.00 1117.4973140 2.49 1118.4365230 1.02 1121.1425780 1.18 1122.0391850 1.70 1124.0074460 0.44 1124.6166990 1.34 1131.5922850 1.55 1132.3334960 0.42 1136.6787110 0.38 1140.0456540 1.82 1142.3916020 0.55 1155.6564940 1.29 1157.1273190 1.96 1158.6303710 1.18 1160.7694090 0.51 1162.6588130 0.53 1164.7619630 1.23 1166.0858150 0.50 1170.9011230 4.59 1173.8513180 0.92 1177.4454350 3.68 1181.1821290 1.07 1186.1679690 0.20 1187.0594480 1.72 1188.3406980 0.94 1189.5689700 1.86 1191.3562010 1.02 1192.5893550 1.11 1193.3558350 1.24 1196.4997560 1.14 1197.6208500 2.80 1198.9547120 0.36 1201.2805180 2.61 1202.8057860 0.29 1206.6475830 0.78 1209.9993900 2.15 1212.4399410 2.31 1214.3999020 0.25 1215.1152340 1.30 1215.7408450 0.18 1217.2694090 1.10 1219.8398440 0.50 1221.8806150 1.37 1222.5424800 1.26 1223.8703610 1.88 1226.6276860 1.78 1229.4697270 0.80 1231.5866700 0.67 1232.7441410 1.05 1233.5897220 0.42 1234.6173100 0.33 1239.9777830 0.48 1242.5561520 0.13 1243.5312500 0.30 1244.7183840 1.11 1245.8085940 1.80 1247.3076170 1.80 1248.6816410 2.59 1250.2208250 2.17 1251.0942380 1.18 1253.6251220 0.58 1254.6865230 1.39 1256.0305180 1.94 1257.6606450 3.83 1260.1750490 2.13 1262.3911130 4.14 1263.2666020 0.52 1264.4061280 2.92 1265.5346680 2.90 1266.4028320 0.61 1268.4118650 4.17 1269.1798100 0.17 1271.7077640 2.56 1272.6437990 0.35 1274.9980470 1.12 1276.6707760 0.50 1277.7946780 0.46 1279.2479250 1.15 1279.9791260 0.21 1281.6606450 0.18 1283.5064700 11.63 1284.4746090 18.39 1285.6181640 12.44 1286.4373780 0.29 1287.4689940 1.90 1288.6605220 4.80 1289.2717290 0.69 1290.5896000 1.63 1293.8297120 4.11 1294.7125240 3.65 1295.7705080 1.33 1296.9182130 0.25 1298.3352050 0.42 1299.4969480 0.33 1301.0753170 6.21 1302.2120360 1.35 1303.3494870 2.98 1305.2534180 1.83 1306.0427250 1.43 1307.5220950 7.80 1309.1043700 1.16 1314.9647220 1.81 1316.2000730 1.17 1318.3435060 2.01 1320.0435790 3.35 1322.0441890 1.90 1323.2152100 2.90 1323.8709720 5.59 1324.9974370 0.25 1326.0090330 3.25 1326.7441410 5.74 1327.7789310 3.43 1329.1151120 0.19 1329.8389890 0.31 1331.1876220 0.55 1332.9676510 1.60 1335.2020260 4.55 1336.4604490 3.93 1338.0772710 1.51 1340.4884030 4.39 1341.7152100 6.87 1343.0606690 0.49 1345.8698730 1.84 1346.6766360 4.30 1347.6894530 3.12 1350.8005370 1.46 1351.6500240 0.45 1352.8579100 3.15 1353.6314700 1.87 1354.4177250 0.59 1355.3172610 2.91 1356.0920410 0.41 1358.6334230 0.52 1360.2965090 0.66 1361.6245120 0.55 1362.8778080 1.16 1364.2572020 4.37 1365.1431880 0.55 1366.5673830 1.69 1367.5051270 3.88 1370.2556150 5.12 1371.5408940 0.98 1372.1431880 0.96 1375.2236330 4.78 1375.9410400 1.82 1376.5782470 2.07 1378.6805420 8.79 1379.7474370 6.98 1380.8908690 3.75 1381.8111570 2.78 1382.8704830 3.61 1384.0687260 0.38 1386.1644290 3.42 1386.9355470 0.91 1390.5135500 1.78 1391.3851320 0.76 1392.1483150 0.14 1394.3089600 3.15 1395.0460210 0.13 1395.6566160 0.92 1397.6127930 0.34 1398.5164790 1.89 1399.8659670 2.94 1401.1204830 0.19 1401.7585450 0.93 1402.8051760 3.92 1403.9019780 2.95 1404.6043700 0.75 1405.2620850 3.79 1406.2208250 4.83 1407.4580080 6.44 1408.3137210 3.85 1409.8162840 1.82 1411.1119380 2.96 1412.1468510 1.11 1412.9038090 1.46 1413.5858150 0.76 1414.7098390 0.20 1415.4869380 1.36 1417.4068600 1.59 1418.6760250 0.50 1420.2886960 4.48 1421.4451900 2.61 1422.8073730 1.14 1423.8560790 2.06 1424.5441890 1.29 1426.4674070 1.97 1427.8988040 6.83 1429.0599370 3.32 1430.1154790 0.35 1431.2084960 5.55 1432.4122310 0.74 1436.4886470 13.78 1437.4576420 8.03 1438.2657470 5.33 1439.6629640 0.43 1441.0083010 1.59 1442.5596920 0.52 1443.9603270 3.16 1446.5909420 4.11 1447.8613280 2.89 1448.8079830 4.67 1449.7772220 1.44 1450.9232180 2.35 1451.8336180 1.21 1452.7314450 6.03 1453.8121340 5.31 1454.4941410 5.74 1455.7047120 4.37 1457.5117190 1.55 1459.0484620 1.71 1460.6413570 16.19 1461.6348880 5.17 1462.4578860 0.77 1463.2738040 6.07 1464.9698490 3.49 1466.0377200 2.66 1467.4798580 3.33 1468.1295170 1.47 1468.8270260 1.17 1469.5611570 0.62 1470.5665280 2.67 1472.0228270 0.21 1472.7611080 4.90 1473.6002200 1.20 1475.4205320 1.43 1477.2603760 1.35 1477.9810790 1.76 1478.7335210 2.58 1479.7286380 2.61 1480.5430910 8.01 1481.3861080 2.20 1482.8481450 2.02 1483.9012450 2.02 1484.7069090 2.03 1485.3995360 2.33 1486.6322020 2.37 1488.0235600 4.91 1488.9311520 5.64 1489.5706790 2.26 1491.3389890 9.26 1492.0145260 5.58 1492.7725830 7.91 1494.6300050 0.22 1496.0203860 6.21 1496.8409420 2.88 1497.6549070 2.02 1498.5603030 1.33 1499.7926030 2.06 1501.0732420 4.47 1501.7910160 2.37 1502.7917480 1.43 1503.5986330 2.82 1504.6815190 2.65 1505.8719480 9.41 1508.9449460 5.74 1509.7955320 2.07 1516.5878910 3.75 1517.6743160 1.49 1518.7054440 5.05 1520.5816650 0.75 1522.5726320 0.70 1524.9069820 1.74 1525.6770020 2.18 1529.8665770 0.66 1550.4693600 0.39 1560.7486570 0.70 1565.8160400 0.60 1567.6361080 1.50 1568.4005130 0.28 1571.7413330 0.28 1573.7864990 2.71 1574.4718020 0.60 1577.5687260 0.50 1583.7012940 1.15 1595.8997800 0.82 1597.8684080 1.37 1607.6481930 0.20 1608.4521480 0.28 1618.4604490 0.55 1622.7930910 1.49 1623.7412110 1.08 1624.4643550 0.79 1627.5125730 0.17 1635.6812740 0.22 1636.7182620 0.30 1640.4735110 9.34 1641.6964110 9.35 1642.5277100 6.42 1643.5448000 2.91 1644.5269780 0.91 1653.0032960 0.60 1677.8532710 0.71 1679.8948970 0.40 1693.4327390 0.44 1697.8459470 0.15 1699.2528080 0.86 1705.3425290 0.63 1709.8918460 0.55 1712.6614990 0.21 1732.8190920 0.20 1736.7321780 0.47 1757.7052000 0.59 1776.6781010 0.41 1777.7932130 0.47 1780.8858640 0.31 1782.0767820 0.79 1782.7486570 0.90 1784.7224120 0.20 1786.8459470 0.26 1790.0726320 0.38 1803.6492920 1.99 1804.6495360 1.52 1805.7408450 0.28 1806.7399900 0.40 1817.8612060 0.36 1824.5782470 0.82 1826.4387210 1.45 1838.9234620 1.04 1844.1066890 1.37 1845.0035400 0.43 1846.0540770 0.92 1861.2762450 5.55 1861.9859620 2.48 1862.8275150 3.09 1863.8099370 2.57 1864.7779540 0.57 1865.9049070 0.81 1892.8607180 0.98 1898.7828370 0.46 1901.5041500 0.93 1916.0191650 0.34 1922.2618410 0.79 1958.7596440 0.40 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 845.2148 Annotation Unknow Peak:m/z Relative Intensity 235.0209961 0.13 236.3261108 0.22 241.1613770 0.48 243.2885437 0.26 247.1728668 0.07 258.0732117 0.57 258.9538574 0.45 264.0613708 0.13 265.1272583 1.22 266.3429260 0.12 267.2730103 0.10 269.1516113 0.20 270.1739807 0.10 271.2546387 0.12 273.3770752 0.06 276.8087769 0.14 278.3796997 0.25 281.2008972 0.06 285.0824280 0.45 286.1463013 2.02 287.0793152 10.67 288.2086487 0.56 295.1794739 2.44 296.1134644 0.34 301.1963806 2.36 302.1546631 3.12 302.9408569 0.22 312.1222534 0.38 315.0583191 1.80 316.2693481 0.24 323.2904358 0.24 330.1502380 12.93 331.1199646 3.48 337.2359619 1.03 338.3592529 0.20 341.2640991 0.26 343.2538147 0.07 345.1419067 100.00 346.1932373 12.76 355.1827393 0.38 356.2667847 0.10 359.2322388 0.58 360.0030518 0.07 381.9352417 0.12 383.1840820 6.43 384.1605835 0.82 387.1127014 0.35 396.7254639 0.56 397.3316650 5.33 398.2753296 1.34 407.3294067 0.19 413.3684692 0.22 421.2138672 0.63 425.2214966 1.05 427.4212646 0.04 439.2196045 0.69 449.1313477 0.12 453.3807373 0.05 483.3712158 0.08 485.1777954 4.03 486.2736816 0.54 499.2456055 21.45 500.1886597 3.56 522.0909424 0.03 610.2542725 0.46 621.3146362 0.09 622.2045288 0.07 637.3061523 0.46 649.5355835 0.23 651.2405396 1.95 652.2051392 1.37 654.2448730 0.33 660.3499146 0.26 666.2493896 0.26 669.2393188 68.50 670.2734985 22.56 673.3198853 0.13 681.6176147 0.30 683.3572388 1.57 684.3751831 0.36 691.6423950 0.04 713.2741089 0.04 725.1350708 0.06 745.0165405 0.04 768.6806641 0.08 783.6924438 0.06 784.4056396 0.06 801.6499634 0.16 817.2338257 0.10 817.9490967 0.10 828.5531006 0.19 830.4013062 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 639.2762 Annotation Unknow Peak:m/z Relative Intensity 459.3242188 0.08 460.9149780 0.03 478.4569702 0.04 550.4808960 0.01 551.1787720 0.06 575.6433105 0.01 582.5004272 0.01 593.5830688 0.10 609.1667480 0.02 616.6110229 100.00 617.4306641 1.58 619.2161255 0.15 620.8498535 0.01 621.7173462 0.02 623.4094849 0.02 809.2167969 0.02 810.5087280 0.05 1083.1448970 0.08 1084.8947750 0.09 1233.0286870 0.02 1233.9078370 0.01 1234.9693600 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 913.4464 Annotation Scopoloside I Peak:m/z Relative Intensity 381.4861450 1.36 395.5762024 0.87 396.6579590 1.06 413.2286377 2.90 477.2257080 0.79 502.4841309 0.39 528.8369751 0.45 557.6371460 9.49 558.3312378 6.56 563.2345581 0.37 575.4064941 31.74 576.4556885 5.82 615.5599365 1.34 633.6533813 1.22 652.3724365 2.10 653.5675659 1.45 689.4795532 0.53 690.6475220 0.75 705.2147827 3.73 706.3684692 0.47 707.6910400 2.13 716.1499634 0.70 719.5798950 7.71 720.4933472 1.22 729.8258667 0.31 731.4526978 3.58 733.5012207 1.74 737.4411011 85.65 738.5148926 37.26 739.6310425 0.81 749.3486938 0.78 751.5687256 0.47 762.0917358 1.87 777.4810181 2.70 778.5585327 9.12 780.5198364 2.88 793.1933594 3.92 795.7270508 2.31 807.0210571 1.84 807.6926270 1.37 808.6891479 3.77 815.6491089 0.85 819.5449219 0.69 820.9385986 1.58 833.4174194 12.82 834.6466064 14.44 851.3622437 11.04 852.4770508 10.51 853.5366211 12.61 854.4563599 3.04 859.2085571 1.09 860.8943481 1.30 869.4451904 2.12 870.6520386 1.23 877.2918091 10.17 878.4076538 0.91 895.4822388 100.00 896.5936890 38.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1275.5594 Annotation Unknow Peak:m/z Relative Intensity 439.2966003 0.39 470.3589172 0.07 483.5940552 0.17 484.5110168 0.06 485.5968018 0.14 501.5197144 0.79 502.4884338 0.88 503.7786255 0.03 516.4973755 0.05 523.3826904 0.04 544.3339844 0.33 545.1396484 0.03 635.6437988 0.06 681.7691650 0.08 690.5852051 0.07 691.4614868 0.07 720.5825195 0.25 758.8345337 0.07 775.5845947 0.13 780.4813232 0.14 809.5236816 0.27 810.6377563 0.19 821.6264038 0.11 822.6425781 0.13 863.4820557 0.12 908.8996582 0.20 925.7231445 0.59 926.6204834 2.73 927.5006104 0.26 967.5611572 22.71 968.5557861 100.00 969.5826416 20.64 970.3199463 0.03 1064.8026120 0.12 1107.4592290 0.12 1108.2722170 0.11 1144.5644530 0.42 1146.3603520 0.38 1172.8420410 0.18 1214.4096680 0.80 1215.5869140 0.17 1232.9971920 0.38 1233.7136230 0.17 1257.8850100 0.37 1258.6708980 0.42 1259.6176760 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 585.2695 Annotation 12-Ethyl-8-propyl-3-vinylbacteriochlorophyllide d Peak:m/z Relative Intensity 166.1151886 0.02 213.3417358 0.01 233.4194946 0.05 242.0194244 0.04 245.3782654 0.04 254.3154602 0.02 268.9700317 0.03 287.2056274 0.10 293.1190796 0.03 297.4608154 0.02 299.2425842 0.55 301.3966980 0.08 303.4505615 0.02 309.4545898 0.06 310.9919434 0.20 321.2729492 0.06 323.1797485 0.48 326.2333374 0.04 329.1535645 0.05 331.1054077 0.04 338.9703979 0.03 347.3137817 0.09 352.4360352 0.07 369.8620605 0.16 372.1510620 0.03 373.5017090 0.13 388.1645508 0.03 402.1923828 0.03 409.2012329 0.18 410.3067627 0.01 413.3214722 0.04 414.4855347 0.03 415.7316895 0.03 418.2639160 0.24 420.3566284 4.11 421.5338745 0.10 422.7331543 0.03 423.5593262 0.10 425.6748657 0.04 426.6669922 0.05 432.2325439 2.06 433.4447632 0.01 434.2778931 0.07 435.3584595 0.38 436.1597290 0.27 440.5321655 0.02 444.7108154 0.02 446.4018555 0.03 447.3066406 0.02 448.2250366 0.10 449.3734131 0.15 450.3734741 0.53 452.2647095 0.01 453.3415527 0.04 462.3011475 19.60 464.2415161 100.00 464.9243164 0.20 469.2944336 0.11 475.3186035 0.39 488.4050903 0.11 489.2610474 0.04 490.3146973 0.07 492.1215820 0.01 501.5931396 0.06 503.7866821 0.13 508.5708618 0.05 511.1982422 0.05 517.3589478 0.05 526.4638062 0.07 527.3248901 0.02 535.1499634 0.01 536.1799927 0.03 540.3375854 0.06 541.5253906 0.08 542.7338257 0.04 549.2318726 0.24 553.2022095 0.03 554.4786987 0.04 557.3181152 0.43 562.5151978 0.09 566.3829956 0.19 567.3337402 0.93 568.4252319 0.09 575.9766235 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 699.1537 Annotation Heliquinomycin Peak:m/z Relative Intensity 197.0611267 0.03 197.8818207 0.01 199.2352600 0.18 200.2781677 0.15 201.1414490 0.16 202.9823608 0.21 204.1754456 0.07 205.0589294 0.34 207.1008301 0.04 208.1586151 0.02 210.9473267 0.15 211.8541565 0.00 212.8636475 0.09 214.1691284 0.06 215.1204834 0.47 216.1475220 0.09 217.1912842 0.12 218.1487274 0.10 219.0811768 0.16 219.9988098 0.04 223.1680908 0.02 225.2151337 0.02 227.2687836 0.21 228.1175842 0.11 229.0555115 0.19 231.0799713 0.25 232.1027832 0.39 233.0607605 0.22 239.0733032 0.37 240.0630493 0.14 241.0654297 0.10 242.1091614 0.11 243.1884766 0.65 244.2617798 0.02 245.0599365 0.19 246.1174316 0.01 247.1691895 0.08 251.6006927 0.01 253.4326172 0.02 254.9900665 0.20 255.5970459 0.02 256.2226257 0.05 257.2470093 0.03 258.1335449 0.05 260.0842896 9.58 261.1548462 1.83 262.1135559 0.02 263.1953735 0.02 267.1986084 0.29 268.1723633 0.02 269.1711121 0.27 271.1510925 1.28 272.2439575 0.27 273.2395325 0.85 274.2357178 0.10 281.2250366 0.10 283.4128723 0.02 285.2763062 0.10 286.1511536 0.55 287.0741882 0.05 289.1629028 1.39 290.1878357 0.29 291.1763306 0.89 292.2330017 0.19 296.4044800 0.10 297.2022095 1.35 298.1785889 0.19 299.0952759 2.42 300.1300659 0.40 301.2509155 0.02 302.1925049 0.17 303.1054688 0.06 304.4524841 0.05 307.1660767 0.12 309.2066040 0.01 314.0833130 3.95 315.0705872 0.72 316.9794922 1.99 317.5932312 0.03 318.2201538 0.24 323.5102844 0.02 324.2455750 0.01 329.2566528 0.08 331.1080933 4.58 332.0797119 3.84 333.0890503 0.60 335.1223755 2.44 336.1956177 0.39 345.3036499 0.04 347.1451111 100.00 348.1394043 12.67 348.7695618 0.04 353.0490112 13.33 354.1149292 1.46 359.0997925 0.03 360.0490112 0.04 367.1929932 0.00 368.3844604 0.03 379.3102417 0.04 410.3151245 0.01 414.9625244 0.03 462.7749634 0.02 468.3525391 0.01 488.3110962 0.01 503.7318726 0.02 507.4116821 0.05 515.3336182 0.01 524.0618286 0.01 526.1124878 0.02 548.1044922 0.02 565.2865601 0.25 566.4093628 0.03 575.1195679 0.04 595.1245728 0.02 600.4290771 0.03 609.3391113 0.04 611.5029907 0.01 621.5725098 0.01 625.1699829 0.02 627.0072021 0.02 631.4006348 0.02 637.5496826 0.02 639.3264771 0.02 641.3941040 0.06 646.1742554 0.01 653.2864990 0.05 655.4959106 0.11 663.4255981 0.02 669.7976074 0.02 681.3128662 0.15 682.3741455 0.04 683.4746094 0.01 699.5156860 0.14 700.2426758 0.02 700.8592529 0.02 712.1460571 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 785.3948 Annotation Diospolysaponin A Peak:m/z Relative Intensity 221.2724609 0.20 230.2534790 0.33 234.1190948 0.19 249.5162354 0.32 251.3059082 0.75 269.3310547 0.24 276.9384155 0.20 283.3430176 0.25 285.2719116 3.95 286.5011597 0.23 287.1953735 0.36 288.4548035 0.55 303.3596191 10.79 304.3415527 1.43 305.1558838 1.39 337.2098694 3.81 343.2713013 0.36 345.2774048 0.56 371.0563660 0.32 379.7197266 0.18 382.4822998 0.78 411.3601074 2.26 412.3493042 0.31 429.4945068 11.55 430.5800171 2.41 431.7789307 0.24 447.3568115 20.59 448.4682617 4.29 459.2180176 0.50 468.0246582 0.34 481.2391357 0.52 489.5455933 0.59 505.4651489 0.21 544.7853394 0.20 571.2456665 0.14 573.3867798 0.72 574.4990234 0.59 591.5481567 5.73 592.5297852 0.91 605.4561768 0.90 609.4634399 20.31 610.4335327 5.39 639.1397705 0.40 650.6497192 0.14 665.4492798 0.65 667.6231079 1.63 668.5663452 0.20 679.8054199 1.80 687.7395020 0.86 688.8739014 0.35 698.4242554 0.64 705.4437256 12.81 706.5626221 1.51 723.5803223 0.37 725.4302368 12.48 726.4196167 9.14 749.5293579 2.12 750.3977051 0.67 767.4921265 100.00 768.5883789 37.89 772.2095337 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 722.56 Annotation Unknow Peak:m/z Relative Intensity 213.0228271 0.16 223.0274048 0.23 231.9577026 0.28 233.0998230 0.05 251.1352997 0.09 255.0989380 0.25 271.0058594 0.08 274.8111572 0.05 290.7363281 0.38 292.9236145 2.01 294.4086914 0.07 321.0723267 0.04 344.1649475 0.07 360.0154419 1.34 361.1260986 0.14 368.8668823 0.82 370.8986816 0.10 373.0241699 0.16 378.1980591 0.42 380.2539062 0.53 382.9924316 2.64 384.2733765 0.21 386.9599609 0.13 388.7525024 0.72 390.9364014 0.17 396.8539429 0.18 398.2143555 0.70 400.9965210 1.09 406.9641724 1.88 409.2311401 0.07 410.9718628 0.35 414.4031982 0.09 416.1636353 0.14 418.3704224 0.31 419.1821289 0.36 420.9666748 0.38 439.0231934 0.09 440.4076538 0.50 441.0628662 0.14 442.0136719 0.13 457.8179932 0.19 460.8517456 0.15 466.9210815 0.13 468.1327515 0.04 470.5830078 0.38 474.0986328 0.05 474.9978638 0.17 476.9715576 0.72 478.0982056 1.23 478.9978638 0.57 494.8811646 0.41 496.0055542 2.42 496.9766235 0.31 500.7494507 1.41 501.8869019 0.25 518.8969116 9.62 520.0910645 0.64 528.6856079 2.05 529.9147339 0.18 532.1047974 0.27 538.7858887 0.21 543.0800781 0.14 544.7379761 0.91 546.7152710 4.13 547.9962769 0.69 548.7800293 4.70 549.6410522 0.76 551.8445435 0.30 554.6418457 11.88 559.7961426 0.16 562.8593140 1.09 564.8455200 1.05 566.7492065 0.90 568.1019897 0.19 570.9799194 0.13 571.9430542 0.72 576.1187134 0.20 584.0388184 0.21 585.1710205 0.77 586.4087524 0.70 587.1082764 0.67 592.0739136 0.56 596.8237305 0.18 599.0326538 0.05 601.6868286 0.04 604.2733154 0.17 605.9677734 0.09 608.7011719 0.74 609.3822021 0.33 610.0211792 9.80 611.0134888 1.68 630.9505005 0.05 634.7693481 0.13 635.7001343 0.83 636.6577148 1.93 638.0144653 22.51 638.6723022 100.00 649.9490967 0.04 653.1940308 1.64 654.3200684 0.47 657.2141113 0.72 658.4315796 0.06 663.7543335 0.44 664.4296265 0.05 675.8182373 0.65 676.6386719 0.56 679.2595825 19.49 680.4844360 12.07 681.6873169 0.33 683.4337769 0.18 684.8878784 0.11 687.7691650 0.38 688.8286743 0.07 690.4012451 0.10 698.8118286 3.92 699.6702271 0.90 704.2116089 0.53 713.9712524 0.33 721.7222290 1.52 722.6754150 0.53 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 505.0964 Annotation 3-Methylellagic acid 8-(4-acetylrhamnoside) Peak:m/z Relative Intensity 158.9307709 0.01 176.8329620 0.00 254.0591125 0.01 255.1676331 0.02 282.3771667 0.02 283.3851013 0.01 312.8226929 0.03 314.2231140 0.16 315.1849060 0.06 320.5787659 0.00 329.1224365 100.00 330.1314697 26.01 331.0214844 0.03 353.2706909 0.01 371.4722290 0.01 406.5295105 0.01 409.3062439 0.01 418.1009827 0.02 426.1872864 0.01 443.0406189 0.01 445.0864563 0.01 459.1313782 0.04 487.3642883 0.01 496.2680054 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 650.9851 Annotation Unknow Peak:m/z Relative Intensity 191.0351562 0.62 240.9591217 0.04 254.1162415 0.06 271.9642334 0.08 287.9933777 0.23 298.1430054 0.08 306.1724854 2.70 344.1315918 0.89 345.9103394 0.08 350.0179443 0.05 354.9165039 0.09 380.3925171 0.09 382.8178711 0.07 397.1683960 0.10 413.0468140 0.07 421.1507568 0.37 428.9707642 0.10 439.4242554 0.05 440.9564209 0.58 445.1216431 0.14 446.0659180 0.43 459.0562134 100.00 461.1818848 0.04 473.9667969 0.66 475.1920776 0.39 498.3913574 0.05 510.4316406 0.16 514.1040649 0.11 515.2354736 0.19 516.6871948 0.63 530.1130981 0.05 532.6140137 0.10 551.8352051 0.20 553.2285767 0.20 560.1271973 0.20 561.1420898 0.07 561.9568481 0.10 599.2917480 0.34 604.0254517 0.12 605.9217529 0.07 607.4191284 0.05 608.4646606 0.22 632.2877808 0.42 633.5257568 0.61 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 730.2969 Annotation Unknow Peak:m/z Relative Intensity 227.0848541 0.78 228.3689270 0.03 229.1771851 0.10 231.3453674 0.02 235.3432465 0.06 238.2295380 0.04 244.1608887 0.03 253.2507324 0.09 254.2498627 0.01 278.3613281 0.03 281.2144165 0.10 282.1467285 0.02 292.0230713 0.01 303.1534729 0.06 304.1319580 0.04 307.7089539 0.01 315.6529541 0.01 326.0234680 0.12 327.3725586 0.02 332.3848877 0.02 339.4934692 0.01 348.2504883 0.24 349.1478271 0.02 352.4680481 0.08 353.4187622 0.05 356.1765747 0.04 358.1815796 0.04 367.2234497 0.01 381.2792358 0.03 383.4962769 0.02 392.3769531 0.03 395.1238403 0.12 396.1124878 0.07 397.4480591 0.01 400.1150513 0.04 401.5151367 0.02 421.3154297 0.02 425.2351685 0.02 442.3397827 0.01 455.5367432 0.05 477.5302124 0.03 487.4736938 0.03 512.7205200 0.02 520.6030884 0.08 526.3225708 0.03 529.5715332 0.01 531.2838745 0.02 533.4525757 0.03 540.7171631 0.05 541.4357300 0.01 543.5932007 0.03 551.4434204 0.01 573.7173462 0.02 583.6286011 0.03 597.2525635 0.07 599.7197876 0.03 609.9277954 0.07 611.3978271 0.03 612.9771729 0.03 616.2468872 0.07 616.9768677 0.01 617.7415161 0.05 626.5182495 0.01 635.9447021 0.02 637.9661255 0.05 638.6001587 0.09 646.0447388 0.04 649.8134766 0.06 652.2614136 0.01 654.8908691 0.02 662.0366821 0.03 666.5656128 0.01 669.4437256 0.11 672.6606445 0.04 674.2726440 0.99 675.4514160 0.02 676.9500122 0.01 678.0266113 0.02 681.5369873 0.05 683.0549927 0.08 685.6068726 0.05 686.4677734 0.15 688.5814209 0.02 689.8900757 0.04 690.8676758 0.09 691.8870239 0.08 693.7229614 0.59 694.9594116 0.23 695.9895630 0.01 698.3692627 0.10 699.0404663 0.17 701.8219604 0.73 702.6429443 0.60 703.2689209 0.18 704.3802490 0.04 705.1229858 0.01 708.7156982 0.06 709.6069946 0.19 712.6382446 0.08 713.2532959 0.15 713.8973389 0.08 715.9124756 0.14 717.6630249 0.02 718.9782104 0.32 719.6759644 0.20 720.4599609 0.11 721.9296875 0.44 722.7178345 0.04 725.9643555 0.02 760.5573120 0.01 765.6594849 0.14 769.4385986 0.15 771.4812622 0.07 772.1465454 0.09 775.4506836 0.10 777.3516846 0.09 778.0404053 0.05 781.4006958 0.03 782.9179077 0.12 786.0883789 0.08 787.4841919 0.07 788.1681519 0.02 788.9067383 0.11 790.3068237 0.33 793.8494873 0.89 794.6582642 0.09 796.4027710 0.02 799.5443115 0.82 801.1920776 0.11 801.9882202 0.03 803.7478638 0.04 808.7107544 0.08 810.1571655 0.09 818.3534546 0.07 821.1198120 0.14 822.9203491 0.13 824.9866333 0.28 826.2377930 0.87 827.1546021 0.40 828.1456909 0.11 828.8259277 0.12 832.0413208 2.63 837.0496826 0.12 838.1279907 0.02 838.8161011 0.11 840.2572632 0.10 841.0436401 0.32 842.1338501 0.07 844.3171387 0.47 846.6190186 0.20 847.3925781 0.14 849.5775757 0.86 850.4165039 0.67 851.4705811 0.14 852.6873169 0.19 853.7789917 0.08 855.4839478 0.02 856.4116821 0.14 858.0772705 0.06 859.8895874 2.13 860.7133179 0.77 861.7583008 0.04 862.3800049 0.01 863.7410278 0.16 865.2898560 7.96 865.9224854 6.74 866.6044312 2.25 867.2152710 0.04 868.3129272 0.06 870.8904419 0.08 871.7758179 0.07 872.5755005 0.09 873.5026855 0.03 875.3612671 0.03 878.1858521 0.14 879.1594849 0.13 880.2172241 0.11 881.4518433 0.14 882.9183960 0.11 884.1731567 0.15 886.4453735 0.22 887.0739136 0.27 887.9948730 0.25 889.6125488 0.86 891.0606079 0.15 892.4014282 5.19 893.2429199 2.74 893.9273071 0.44 894.6008301 0.22 896.0745239 0.06 897.0689087 0.24 897.9580688 3.81 898.7638550 100.00 900.4763794 0.56 901.5595703 0.29 902.8880005 0.23 904.3139648 0.20 905.8027344 0.10 907.4653320 0.11 909.4204102 0.01 910.0454712 0.13 912.5905151 0.07 913.2080078 0.01 916.5598755 0.05 919.4262695 0.33 921.2120972 0.06 922.2839966 0.23 923.1154785 0.09 924.8731079 0.65 925.5056152 1.37 926.3237915 0.79 927.9995728 0.09 928.6712036 0.13 929.5551758 0.18 931.0129395 0.41 935.5798340 0.32 936.3417969 5.03 937.2907715 0.92 937.9431763 0.02 938.8334351 0.04 939.6013794 0.22 941.3452148 0.14 943.2250977 0.08 943.9458008 0.19 945.1148071 0.06 945.9696655 0.16 948.2593384 0.01 949.5856934 0.04 957.8578491 0.04 969.3803711 0.11 986.3081055 0.14 990.4067383 0.03 998.7427368 0.28 999.6376343 0.04 1003.6928100 0.01 1005.4514160 0.08 1011.1511840 0.05 1011.7627560 0.01 1013.5009770 0.08 1014.3098750 0.11 1015.5236210 0.09 1017.4209590 0.01 1022.1615600 0.02 1023.0043950 0.03 1032.2072750 0.05 1048.2375490 0.06 1056.5433350 0.08 1064.6529540 0.07 1073.3546140 0.08 1076.8702390 0.04 1089.8410640 0.11 1098.1833500 0.19 1099.2242430 0.06 1100.7233890 0.02 1112.0728760 0.08 1113.6356200 0.04 1121.1004640 0.04 1122.8679200 0.02 1129.1811520 0.04 1131.3522950 0.07 1132.9069820 0.11 1134.7086180 0.09 1141.6166990 0.06 1147.0705570 0.05 1147.7075200 0.05 1148.4801030 0.05 1154.4047850 0.03 1157.2991940 0.19 1158.1690670 0.09 1162.1644290 0.04 1163.0252690 0.05 1163.9145510 0.01 1166.9874270 0.04 1171.6171880 0.50 1172.7745360 0.07 1174.1130370 0.08 1175.8118900 0.05 1176.7502440 0.02 1180.6776120 0.20 1182.8773190 0.17 1189.7558590 1.59 1190.6732180 1.39 1191.5356450 0.17 1192.7326660 0.07 1195.1287840 0.06 1199.7446290 0.06 1205.1562500 0.03 1206.5041500 0.07 1211.8132320 0.15 1212.8457030 0.11 1213.6237790 0.19 1216.2359620 0.11 1217.4748540 0.03 1219.6934810 0.13 1220.9378660 0.71 1221.8446040 0.60 1222.9212650 0.20 1224.9831540 0.28 1225.9278560 0.15 1227.1164550 0.11 1232.5360110 0.01 1250.5557860 0.08 1258.7537840 0.01 1260.8870850 0.11 1263.3377690 0.06 1264.9738770 0.05 1266.8568120 0.09 1268.0740970 0.02 1270.1258540 0.48 1271.6452640 0.01 1273.5186770 0.61 1274.3824460 0.43 1275.2679440 0.20 1277.4122310 0.15 1278.0718990 0.06 1279.0837400 0.15 1280.2137450 0.02 1285.7536620 0.04 1289.1115720 0.01 1290.0382080 0.03 1298.6936040 0.09 1331.8319090 0.05 1334.6990970 0.06 1343.9687500 0.03 1344.8819580 0.14 1346.2092290 0.10 1377.4788820 0.04 1424.0009770 0.02 1455.6904300 0.06 1457.5931400 0.03 1480.6170650 0.02 1482.4625240 0.04 1506.5920410 0.01 1511.3023680 0.02 1520.6092530 0.04 1521.4351810 0.03 1551.6726070 0.06 1567.4118650 0.03 1570.7181400 0.07 1594.8446040 0.03 1617.6008300 0.02 1630.5552980 0.03 1643.9703370 0.03 1650.9060060 0.02 1688.8499760 0.01 1693.7349850 0.03 1723.7351070 0.01 1729.0524900 0.04 1735.2150880 0.02 1751.1756590 0.02 1755.7165530 0.02 1766.0474850 0.02 1782.6451420 0.04 1787.4656980 0.02 1818.4460450 0.03 1821.6433110 0.01 1823.9270020 0.03 1829.7569580 0.01 1837.7497560 0.01 1850.9400630 0.02 1886.3571780 0.02 1899.6594240 0.09 1915.8513180 0.01 1918.9525150 0.02 1920.4704590 0.03 1962.4954830 0.00 1965.1995850 0.02 1966.5025630 0.03 1971.9024660 0.02 1988.2440190 0.05 1996.8527830 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 547.2861 Annotation Unknow Peak:m/z Relative Intensity 155.2424622 0.08 158.8643494 0.09 167.9683380 0.09 169.0513306 0.04 174.3030701 0.10 174.9626465 0.11 177.1253510 0.33 195.0171967 0.15 205.2161560 0.17 206.3032684 0.09 209.9544525 0.05 218.9432983 0.12 227.3534241 0.07 228.9515686 0.12 240.9994202 1.60 242.1227112 0.12 252.3951721 0.30 259.0655212 0.17 261.7410889 0.44 265.0671692 0.29 269.3209839 0.05 270.6345825 0.36 280.6497192 0.08 282.3223267 0.82 295.6197510 0.06 296.4220581 0.07 298.3746948 0.04 306.8494263 0.13 309.3066406 1.07 310.3446045 0.13 311.2222290 0.27 315.4073486 0.12 322.9893799 0.12 333.2336426 0.09 337.3771973 0.16 338.2514038 0.13 343.1803589 0.14 346.0010986 4.58 346.8200684 0.94 357.2496948 0.14 365.0644531 2.81 366.5510864 2.27 367.2093506 0.82 373.3207397 0.07 375.0328369 0.26 381.9589233 0.56 383.9932251 7.33 384.9368286 0.15 396.8461914 0.22 398.1322632 0.04 400.4257812 0.05 401.7888794 0.48 402.6563110 0.42 407.2755737 1.98 408.4552002 0.43 412.2436523 0.08 413.3604736 0.07 418.0758667 1.63 419.4447632 0.09 420.5835571 0.35 425.0899048 24.27 425.7169800 0.70 427.1718750 0.08 430.4763794 0.39 436.8872681 0.25 437.7057495 0.09 439.9039307 0.13 443.6473389 0.44 444.7298584 1.45 449.3410034 2.56 450.1663818 0.57 452.2090454 0.15 453.8908691 0.44 456.4560547 0.16 459.3869629 0.08 461.3940430 0.33 464.4812622 0.17 467.3142700 2.88 470.2128906 0.47 470.8312988 0.43 471.8447876 0.76 474.0963135 7.99 475.0072632 0.25 478.6542969 0.18 480.8631592 0.37 481.8588257 1.73 482.7114258 0.51 484.1092529 0.13 484.8652954 0.23 485.9229126 1.95 486.6196899 0.29 488.4425659 5.55 490.7348022 1.00 491.4230957 0.94 492.3831177 0.10 493.0571899 0.71 494.9857788 12.22 495.8622437 0.77 497.2688599 0.16 498.2586670 0.09 502.1705933 0.59 503.9067383 20.95 504.5723267 21.19 505.3909302 1.11 506.0558472 0.20 507.0062256 0.20 507.8125000 0.52 512.8641357 3.11 513.6036987 0.35 514.2243042 0.55 515.2425537 0.12 516.7581787 0.17 518.3989258 0.12 519.6871948 1.15 520.8257446 0.50 522.9784546 16.20 523.8003540 2.34 524.6984253 0.24 525.3815918 0.27 526.2434082 0.78 527.9738159 1.38 528.9531250 0.56 529.8940430 0.74 530.7791748 0.77 531.9038086 1.54 532.6693115 0.64 535.1787720 0.34 536.4877319 1.63 537.1511841 1.14 538.7702026 1.87 540.8238525 0.05 541.6198730 0.05 545.4541626 0.08 546.6806641 0.17 555.3627319 0.18 557.9132690 1.00 559.0547485 0.09 560.4246826 3.56 561.3286743 0.51 565.0127563 100.00 566.1984863 10.70 566.8955688 2.19 567.8873291 1.79 568.8283691 0.23 569.7733765 0.26 570.5676880 0.71 571.2173462 0.12 572.5248413 2.35 573.3118286 0.11 574.8975220 0.64 576.0590210 0.37 579.5335083 0.08 581.1216431 0.28 583.6973877 0.77 584.7202148 0.07 585.7250366 0.20 587.3764038 0.66 590.7189941 1.47 591.7491455 0.98 593.7445068 0.33 594.5090942 0.10 595.7312622 0.14 599.2505493 0.56 601.0570679 0.44 601.8502197 0.82 602.5458374 0.36 603.7509155 1.58 605.3897705 27.52 606.8771973 3.94 607.6499023 0.60 608.6015625 0.48 609.7127075 0.14 610.3858032 0.14 611.0778198 0.10 612.3024902 0.34 613.3231812 1.20 615.9047852 0.13 617.0963745 0.57 620.3007812 0.29 622.0099487 1.05 623.4882202 2.62 624.1837769 0.10 627.0975952 2.91 627.9127808 2.54 629.0833130 0.05 633.9572754 1.29 634.6454468 0.30 636.3283081 0.73 638.3318481 0.26 639.2564697 0.57 643.4924927 0.32 649.7233887 1.79 652.6099243 0.17 654.8043213 0.61 655.5789185 0.78 659.4501343 0.26 660.4701538 0.09 663.9830322 0.19 666.0439453 0.46 667.5093994 0.27 669.3934937 0.21 675.5131836 0.40 676.4785767 0.39 680.7089233 0.54 685.6547241 5.23 686.6190796 4.93 687.9514771 1.26 690.8920898 0.38 697.1072998 0.43 703.4010620 0.30 704.5263062 1.45 709.3666382 0.14 709.9963989 0.20 721.8071899 1.44 722.6345825 0.70 723.8215942 0.82 724.9807129 0.19 728.9821167 0.95 733.5546265 1.09 735.3117065 1.29 736.3376465 1.19 737.7086182 0.47 739.4749146 0.64 740.3926392 0.41 741.2033691 0.13 751.7996216 0.83 752.5184326 0.58 753.4127808 0.25 759.5952759 0.55 761.9074097 0.07 762.6553345 0.13 763.8452148 0.32 766.6288452 0.76 767.2897339 0.22 775.1915894 0.31 776.4279785 0.86 777.0358887 0.65 780.3871460 0.65 781.7271729 0.82 783.5684204 10.67 784.2211304 10.67 785.2723999 3.11 786.1329956 0.29 787.2692261 0.40 795.3952637 0.09 805.7257080 0.07 809.7527466 0.07 810.8588257 0.11 817.4658813 0.05 819.5929565 1.07 820.4802856 0.18 824.2232056 0.11 828.5730591 0.26 841.5421753 0.30 847.5597534 0.04 848.7583618 1.09 849.7468872 0.16 850.3712769 0.09 855.4296265 0.13 869.4628296 0.35 880.4570923 0.05 883.3654175 0.08 889.9295044 0.03 892.6476440 0.21 899.4194336 0.16 901.1935425 1.11 903.3372192 0.03 909.3212891 0.05 910.5957642 0.04 911.5637207 0.23 916.9246216 0.07 921.3144531 0.10 932.4544067 0.18 941.0752563 0.09 947.1560669 0.14 965.4717407 0.03 969.5202637 0.14 1021.7358400 0.08 1032.7552490 0.35 1039.3715820 0.09 1040.7047120 0.10 1051.7084960 0.20 1070.5734860 0.10 1096.8732910 0.26 1102.6118160 0.09 1120.9958500 0.27 1142.9948730 0.21 1172.7941890 0.19 1175.8632810 0.05 1203.8382570 0.06 1206.8763430 0.07 1224.5521240 0.09 1241.9808350 0.28 1276.6727290 0.05 1303.5469970 0.19 1340.5424800 0.63 1370.7110600 0.20 1371.8120120 0.10 1406.2044680 0.11 1437.7503660 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 519.0782 Annotation 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide Peak:m/z Relative Intensity 175.1180420 0.22 267.0916138 0.01 300.8690796 0.02 312.8154297 0.02 314.2339478 0.02 326.2970581 0.01 328.1643677 1.60 338.1365967 0.03 343.2041626 100.00 344.0962524 0.05 361.1306763 0.01 385.1523438 0.05 391.5286255 0.04 434.4610596 0.03 439.4191895 0.01 457.2869263 0.01 487.2643433 0.03 489.5363159 0.05 500.2798462 0.07 501.1983032 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 555.3173 Annotation FR 235222 Peak:m/z Relative Intensity 165.0106354 0.02 221.0379028 0.01 269.3233643 0.01 286.0836182 0.01 287.1427612 0.06 299.3045654 0.03 305.2637939 0.01 375.4362793 0.79 376.3266602 0.13 379.5560913 0.03 393.1376953 0.01 417.3779297 0.02 424.4072876 0.02 433.4482422 0.04 468.5665283 0.01 472.3507080 0.01 485.4619751 0.03 488.3220825 0.04 491.4155884 0.08 494.5958252 0.01 496.2396851 0.01 498.3718262 0.03 509.3890381 100.00 510.4190063 3.18 511.3523560 0.01 517.2499390 0.01 519.2045288 0.01 520.2865601 0.03 537.3810425 0.04 538.3729858 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 603.0029 Annotation UDP-D-galactose(2-) Peak:m/z Relative Intensity 193.1329956 0.38 211.1045837 4.09 215.0170441 0.59 216.7465820 0.05 232.8057251 0.14 235.6423950 0.08 241.0702515 5.10 257.0555420 0.61 258.8286133 0.18 261.1509399 0.04 262.1713867 0.28 272.9148560 0.07 280.1896362 1.62 287.2189026 0.07 298.9146118 0.24 305.1450806 0.05 308.2917480 0.14 310.9414062 0.37 318.2979126 0.28 321.2096558 0.04 321.9438782 0.09 323.1186523 100.00 324.3076172 0.06 329.0800781 5.36 332.9017334 0.08 334.0274048 0.64 336.1884155 0.07 340.8617554 0.20 346.3583374 0.12 348.9786377 0.21 349.9888916 0.15 352.1516724 0.09 359.0291138 3.68 361.2077026 0.55 364.1414795 0.27 370.9390259 0.09 372.2080688 0.26 377.0476074 7.00 379.8244629 0.67 382.4061890 0.19 386.5697021 0.14 388.1095581 0.10 390.0171509 0.66 391.2534790 0.22 397.8421631 0.27 401.1510620 0.11 414.1247559 0.17 419.0076294 1.57 423.0991211 3.13 424.1173706 0.44 425.2157593 0.06 425.9490967 0.07 429.0179443 1.08 430.1766968 0.21 431.2608032 0.18 432.9892578 0.15 434.8420410 0.47 440.0886230 2.81 441.1242065 36.95 446.8104248 0.24 447.8774414 0.67 448.9631958 0.93 450.5485229 0.13 452.3637695 0.66 453.0978394 0.05 458.1063843 0.20 462.2682495 0.25 466.7843018 62.86 467.8637085 0.92 470.0720215 7.96 472.2507324 0.09 482.9901733 29.32 483.6021729 0.35 484.8822632 0.23 487.9909058 2.09 491.1790161 3.07 500.0451660 0.30 504.8179321 0.08 511.6755981 0.06 516.4323120 0.79 518.7103882 9.72 524.1341553 1.16 525.1591797 0.04 534.7366333 0.40 542.0498657 1.44 556.7180176 0.12 560.0889893 55.17 564.8024292 0.24 567.0601807 0.11 584.4395752 0.69 585.1177368 16.65 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 431.1921 Annotation Unknow Peak:m/z Relative Intensity 136.8151550 0.04 142.8969421 0.16 149.1207123 0.12 150.9786987 0.04 153.0822754 2.15 159.0834961 0.43 160.9206848 2.76 165.1713257 0.05 179.0035706 0.35 189.2193298 0.02 205.1134644 3.01 223.0731964 7.37 233.1645508 0.08 251.3344727 0.59 259.1059570 0.11 267.2208862 0.08 295.3320312 0.14 317.0296021 0.05 324.4592896 0.06 352.3337708 0.07 383.2875977 0.05 385.1748657 100.00 386.0094299 0.06 387.3898315 0.21 411.2542114 0.06 413.3126831 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 532.7 Annotation Unknow Peak:m/z Relative Intensity 207.0106506 0.11 280.7330933 2.13 282.8429871 0.15 283.5394287 0.42 290.8658142 1.68 362.8439331 1.44 364.7093506 10.08 372.6892700 3.81 374.6838379 3.96 390.8314819 0.35 404.0753784 0.16 440.2105713 0.14 440.9406738 0.28 444.6570435 0.11 446.7039795 6.72 448.6428833 100.00 456.8019409 0.80 457.9301758 0.25 458.9410400 1.51 485.9237061 0.13 486.6354980 1.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 599.408 Annotation Isomytiloxanthin Peak:m/z Relative Intensity 168.9852142 0.30 171.1064758 0.37 173.1119843 0.88 174.1691284 0.05 174.9346619 0.59 176.1848145 0.15 177.1662598 0.19 178.0744934 0.20 179.1215973 0.60 181.1078644 1.83 182.9307556 1.43 185.0604858 0.91 187.0864563 0.36 188.2620087 0.23 189.0970001 1.13 191.0893250 1.36 192.1721344 0.51 192.9607544 1.05 194.0568237 0.87 195.2210083 0.89 197.0573273 1.47 199.0741882 0.98 200.9583893 0.16 201.7566071 0.06 203.0265808 3.10 205.0282898 0.39 206.1679840 0.71 207.2098389 3.21 209.1144714 5.41 210.2667084 0.40 211.2729187 0.44 212.0075073 0.17 213.2169800 0.44 215.2744141 1.17 217.2101288 0.61 219.1352539 0.41 221.1290131 12.98 222.4389648 0.43 223.2276917 1.24 225.1449890 1.02 227.2198639 0.65 228.1731720 0.14 229.2395325 1.01 230.1331482 0.09 231.1868591 0.40 233.1301727 2.87 234.3229980 0.45 235.2652435 2.20 236.1128845 0.20 237.2530975 2.97 239.1621552 0.45 241.2779083 0.53 243.0580750 0.27 244.1061096 0.12 245.4234924 0.96 247.2413330 2.08 248.2219696 0.29 249.2491913 0.74 250.1752625 0.27 251.2369385 1.57 253.0937653 0.17 255.2994690 0.15 257.1890869 1.81 259.3156128 1.32 260.8897705 0.45 261.6000671 0.36 263.1485901 2.04 265.3570862 0.63 267.1023560 0.51 269.1684875 0.89 270.3239136 0.36 271.3461609 0.69 272.1271362 0.49 273.1849060 0.96 274.4840698 0.38 275.3214722 0.75 277.3724670 1.32 278.2910156 0.24 279.2502441 0.91 280.0960388 0.06 281.1689148 4.38 283.2974854 0.41 284.2874146 0.14 285.1644287 0.81 286.2126465 1.85 287.2493896 1.10 288.2362061 0.35 289.1878052 1.31 290.3931274 0.17 291.3063660 0.91 293.2779541 1.04 295.1641235 1.31 296.1873779 0.10 297.3425293 0.33 298.0509033 0.04 299.3230896 4.40 301.2849121 1.23 303.2261353 0.68 304.7318115 0.03 305.6074219 0.29 306.2958679 0.31 307.2570190 1.08 309.0720215 0.70 310.5003357 0.40 311.1827393 2.71 312.3413696 0.25 313.2507935 0.92 314.3513184 0.25 315.4109497 1.47 316.5126343 0.24 317.2719727 0.22 319.1921997 0.45 321.2390137 2.01 323.2886963 1.23 324.2675781 0.11 325.2983398 0.38 326.4946289 0.38 327.3354492 0.46 328.2796631 0.40 329.4000854 0.48 331.1827393 0.51 333.0779419 0.33 334.0200195 0.14 335.2706299 0.91 336.7611084 0.38 338.1003418 0.26 339.3226318 0.34 340.1422729 0.11 340.9266968 0.36 341.5374756 0.91 343.2852783 0.67 345.3889771 1.00 347.1522217 1.42 348.8577881 0.21 349.5612793 1.22 351.2923584 1.04 352.3059082 0.32 353.3810425 0.32 354.0458984 0.09 355.3290405 1.18 357.4629517 0.45 358.3592529 0.39 359.4080811 2.49 361.3950195 1.74 362.6992798 0.49 363.5448608 1.76 364.2994995 3.31 365.4367065 3.19 366.4764404 0.05 367.4141846 0.90 368.4190674 0.06 369.2302246 1.19 371.4244385 1.00 373.3786621 4.03 375.3610840 1.50 376.2728271 0.12 377.2999878 5.72 379.4924927 0.63 381.3884888 0.66 383.4941406 0.96 385.2962646 1.33 386.4335327 0.20 387.5269165 0.74 389.2842407 1.56 390.3457031 0.09 391.4400635 6.29 393.0976562 0.52 395.5117188 0.18 397.3374023 0.63 398.2964478 0.07 399.6963501 0.70 400.8773804 0.31 401.5364990 1.15 402.5710449 0.20 403.3540649 0.49 405.5924072 0.37 407.3695068 0.31 408.9662476 0.10 411.5288086 0.71 412.5551147 0.17 413.3441772 0.15 415.3455811 5.05 417.4560547 3.45 419.3195801 2.03 421.3222046 0.12 423.4991455 2.80 425.3043823 0.48 426.2713623 0.08 427.4049072 0.66 428.4318237 0.25 429.3428345 1.04 431.4296875 0.40 432.4332886 0.16 433.2282104 0.23 435.3623047 0.59 437.2886353 0.12 438.3887939 0.12 441.3283691 9.72 442.0050659 0.08 443.5712891 1.44 444.5557861 0.09 445.6848755 0.55 447.5157471 0.51 449.5329590 0.58 453.7719116 1.22 454.4502563 0.12 455.7090454 0.07 459.3980713 0.62 461.4053955 0.66 462.8164062 0.24 463.5364990 0.76 465.8037109 0.24 467.4265137 0.33 469.4145508 0.23 471.5029907 0.76 474.8822021 0.50 475.6444702 0.07 477.7986450 0.08 479.8175049 0.06 481.3409424 0.11 483.8682251 0.37 484.4739380 0.06 485.5793457 0.25 487.5960693 0.07 489.4223022 4.89 493.2858887 4.54 493.8948364 0.29 495.5855713 0.06 497.4507446 0.31 499.2359009 0.25 501.7277222 0.28 503.1869507 0.10 504.5750732 0.22 505.5501099 0.14 507.4774170 100.00 508.5809937 0.14 515.0893555 0.76 519.7511597 0.62 520.5180054 0.52 521.4898682 0.16 523.6090088 0.51 525.4729004 1.88 527.5471802 0.13 530.3085327 0.36 533.5061646 0.39 534.6950684 0.23 538.8480835 0.31 539.5630493 0.19 541.5279541 1.03 543.6054077 1.58 545.4376221 2.63 553.3363037 0.43 563.4660034 9.92 581.5418701 44.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 667.13 Annotation Unknow Peak:m/z Relative Intensity 187.0497894 0.22 189.1189880 0.07 197.0587006 0.26 198.1665802 0.06 199.0588684 0.30 201.2925415 0.14 202.1288605 0.34 203.1398163 0.38 205.0400848 0.07 208.4032135 0.01 209.2816162 0.02 210.9501648 0.04 213.0843506 1.68 215.0525970 0.38 220.1824493 0.11 221.7285461 0.04 225.1280518 0.03 227.0269470 0.02 228.2539215 0.01 230.0558777 4.18 230.9981689 1.23 241.0683136 3.15 243.0043030 1.66 244.0478516 0.09 245.2422791 0.14 253.5398254 0.02 254.9928436 0.04 256.1461182 0.08 259.1047974 2.37 261.1657410 1.52 267.1923218 0.05 269.0647583 6.26 274.1912842 0.11 277.0255127 0.08 278.2118530 0.09 287.1087952 2.23 299.1355591 0.11 302.2393188 0.09 305.0807800 3.25 312.9632874 0.50 314.0953369 0.24 323.1159058 16.59 329.0077515 0.13 330.1899109 7.06 331.6368408 0.11 336.1755981 0.02 340.4691772 0.02 343.4163208 0.05 345.1047974 100.00 345.7993164 0.37 357.2711182 0.06 372.1499634 0.09 398.2050171 0.05 409.6101074 0.04 434.2994385 0.02 435.4254150 0.04 436.3918457 0.34 441.1461792 0.03 462.4490356 0.04 467.4430542 0.09 492.5344238 0.06 498.7686157 0.17 502.7994385 0.01 504.3760376 0.02 517.5397949 0.07 521.4580688 0.05 532.5144653 0.06 535.6985474 0.23 547.6432495 0.02 548.4866333 0.03 556.4107056 0.10 557.4893188 0.06 564.2701416 0.09 565.4833984 0.06 566.2021484 0.06 574.1509399 0.26 586.6299438 0.24 601.9710693 0.04 613.3204956 0.02 621.0567017 0.08 628.4429321 0.03 630.3114624 0.12 631.4207764 0.12 634.0104980 0.04 635.3102417 0.06 648.5439453 0.49 649.2847290 0.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 623.3426 Annotation Spongipregnoloside B Peak:m/z Relative Intensity 177.0501404 0.07 183.1714783 0.13 189.1227417 0.08 191.1384430 0.39 197.2219086 0.18 199.0773163 0.16 206.9880524 0.10 213.1253357 0.33 223.2501678 0.04 228.4120636 0.19 230.6279755 0.15 233.4017944 0.03 235.1022644 0.07 236.3395691 0.12 237.6815033 0.05 239.1249084 0.15 245.1538696 0.04 248.9947815 0.32 251.2674713 0.19 254.8171387 0.17 256.2310181 0.06 261.1021729 0.17 263.1616211 0.65 264.9344177 0.42 265.8088684 0.09 267.3607788 0.06 273.1295776 0.06 275.3676758 0.14 276.5663452 0.22 279.2218628 0.07 281.2420959 0.12 283.3239746 0.20 285.1722107 0.33 291.5313721 0.15 293.3765259 0.10 295.3325806 0.04 297.1430054 0.16 298.6370239 0.09 299.2616577 1.76 301.2132568 7.22 303.2899780 1.27 305.0641479 0.11 307.0119629 0.09 308.1820068 0.03 310.4177856 0.16 313.0990601 0.25 315.2147217 0.15 317.0894165 0.12 319.1345520 0.12 321.2074890 0.26 324.8576660 0.31 329.2426147 1.77 333.0739136 0.15 335.2978516 0.05 337.2916870 0.18 338.4043579 0.06 339.1870728 0.86 341.4495239 0.19 343.4355469 0.44 345.3034058 0.20 347.0066528 0.50 347.7149658 0.09 349.3469849 0.26 355.3866577 1.09 357.1010742 2.67 357.7018433 0.13 360.9564209 0.18 363.0744629 0.10 365.2778931 1.02 369.2230835 0.43 371.2292480 0.30 373.2097778 2.64 375.3500366 1.17 385.2567139 0.09 389.3308105 1.95 392.1199341 0.29 395.4553223 0.19 397.2721558 0.20 399.4110718 0.08 407.3898926 10.10 415.2325439 0.26 421.5763550 0.16 425.2878418 20.99 425.9232178 0.06 427.1996460 0.24 429.0346680 0.10 443.3662720 79.38 447.2970581 2.18 448.1012573 0.04 455.2360229 0.20 458.0886841 0.05 459.4042358 0.21 461.3867188 100.00 468.4728394 0.06 471.4568481 0.15 489.1924438 0.16 490.1718140 0.22 491.5218506 0.06 497.3643188 0.07 502.3407593 0.47 503.5366821 0.14 508.3898315 0.03 515.4284668 0.20 516.6896362 0.06 519.2803955 0.33 525.0747681 0.08 529.8867188 0.07 533.7538452 0.38 535.8508911 0.04 537.3367920 0.13 542.5571899 0.18 545.2764893 0.14 551.3063354 0.24 561.4457397 0.15 562.1812134 0.22 564.3424683 0.14 569.7101440 0.06 570.5934448 0.10 573.7924805 0.37 577.4501343 0.27 587.2784424 3.08 591.3430786 0.15 597.1669922 0.36 598.2623901 0.09 605.1945190 15.22 606.1854858 0.11 607.2515259 0.30 613.6066284 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 643.2352 Annotation Unknow Peak:m/z Relative Intensity 200.2222900 0.06 210.2461243 0.02 215.1590424 0.90 225.3397827 0.02 239.2900696 0.22 241.0395050 0.03 255.1552429 0.02 256.8162842 0.09 257.4163818 0.39 259.1492615 4.91 261.3807983 0.03 265.0542603 0.02 286.1540527 0.07 287.2343140 0.03 288.0935059 0.02 300.3292847 0.18 301.2285156 0.58 304.5182190 0.05 313.3931274 0.02 319.2177734 0.02 341.2449341 0.10 342.1198120 0.07 343.5502930 0.05 354.3485718 0.04 356.3627930 0.06 360.1019897 0.02 373.1373901 0.03 375.1700439 0.03 393.3745117 0.04 418.5147705 0.03 419.3438110 0.76 421.0918579 0.45 423.8416138 0.07 430.2444458 0.04 431.5856323 0.03 437.0635986 0.03 439.1235352 0.09 444.4175415 0.10 445.1730347 0.21 460.5772705 0.09 462.1497803 0.02 463.2308350 26.01 463.8603516 0.06 466.5477905 0.03 467.4183350 0.05 481.2583008 100.00 482.0582886 0.23 490.1882324 0.08 495.8012695 0.07 503.3951416 0.07 505.2677612 1.20 519.5319214 0.05 520.3888550 0.05 521.3905640 0.12 522.3413696 0.05 523.3624268 2.56 525.5768433 0.02 526.4434204 0.03 527.3477783 0.19 535.2481079 0.06 538.0438843 0.03 541.4816284 0.11 542.1930542 0.07 544.5530396 0.12 553.4116211 0.38 558.9905396 0.09 562.2523193 1.19 562.8590698 0.30 565.1834717 0.08 566.4233398 0.10 568.3298340 0.27 569.5570679 0.08 579.7434692 0.02 581.4469604 0.09 583.1179810 1.19 595.3973999 0.10 596.3148804 0.08 597.2323608 0.20 599.0838623 0.18 600.6681519 0.06 605.1546021 0.01 606.3983154 0.01 607.2670898 0.03 611.2301636 0.35 613.4398193 0.09 621.2775269 0.06 624.4813843 1.72 625.3767700 9.54 626.5249634 0.01 633.8568726 0.19 634.4808960 0.07 640.6920776 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 439.0856 Annotation Unknow Peak:m/z Relative Intensity 160.9289856 1.92 178.9514160 5.50 221.4288940 1.06 259.1197815 98.82 276.9848633 37.18 277.5862427 0.95 303.4429626 0.66 305.1553650 1.45 341.1417847 100.00 379.2082214 5.70 421.2331543 55.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1280.06 Annotation Unknow Peak:m/z Relative Intensity 367.1016235 0.96 375.4819336 0.52 407.3792725 0.24 419.3733215 0.39 423.4129639 1.65 435.1927795 1.72 435.7972717 0.67 437.5151978 1.13 453.3434448 0.71 463.6458130 0.64 481.4303589 6.51 499.3639221 62.24 500.2888794 0.96 517.3640137 4.16 518.6190186 0.61 763.5145264 0.84 807.2274170 0.49 825.4582520 6.15 971.4410400 100.00 972.3193359 2.96 1037.3489990 0.31 1111.5462650 1.39 1147.7296140 0.50 1148.4708250 0.50 1261.1899410 0.68 1261.8874510 1.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 685.2876 Annotation Mombasol Peak:m/z Relative Intensity 227.3879395 0.03 305.3867188 0.02 355.2980957 0.07 356.4570312 0.12 360.2583618 0.11 361.5019531 0.01 367.5618896 0.03 371.5668335 0.03 381.4079590 0.03 383.0404663 0.02 384.4079590 0.11 385.3406372 0.03 397.5055542 0.06 398.3707886 0.02 399.1558228 0.01 414.5118408 0.03 415.4048462 0.05 426.1856689 0.31 427.2327881 0.17 428.3795166 0.02 430.3519897 0.18 431.2916870 0.07 432.6511230 0.03 444.2008057 0.53 445.2741089 0.13 447.5772095 0.04 458.2130127 0.14 459.5364990 0.08 470.1671753 0.03 471.0314331 0.02 471.6357422 0.04 474.1709595 0.03 478.2775879 0.02 486.4443359 0.53 487.4552002 0.34 488.5537720 0.02 490.5197144 0.40 491.4156494 0.17 496.1677856 0.04 502.3418579 0.65 503.4539795 0.37 504.2847290 0.03 505.3999023 0.02 507.3899536 0.05 508.0919189 0.08 508.8223877 0.02 517.9230347 0.06 518.5532227 0.02 519.5475464 0.12 520.3750000 0.08 521.7513428 0.06 523.2686157 0.04 530.3350220 2.91 531.4382935 1.18 532.2262573 0.08 541.5460815 0.02 549.3755493 0.90 550.4442749 0.54 551.4457397 0.12 562.3119507 25.50 563.3274536 9.47 564.2745972 0.12 565.4048462 0.01 567.3102417 0.34 568.3821411 0.17 569.4636841 0.03 575.4003296 0.01 581.1863403 0.02 582.5846558 0.07 593.3739014 3.41 594.3795776 1.78 609.3716431 9.76 610.4145508 6.80 611.4751587 0.08 612.3331299 0.19 613.5404663 0.04 614.3643188 0.05 623.4575806 0.02 624.6753540 0.05 625.3458862 0.79 626.3411255 0.41 632.0745239 0.04 635.1622925 0.01 636.4487915 0.02 641.3015747 0.12 643.0379028 0.17 644.0471802 0.25 644.6794434 0.02 653.3015747 100.00 654.2894897 51.29 654.9314575 0.20 657.2346802 0.05 667.4963989 0.03 668.6217041 0.03 669.5125122 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 919.4419 Annotation Unknow Peak:m/z Relative Intensity 263.1333008 0.16 271.3304138 1.11 286.1371460 0.09 293.4006042 0.05 295.2981262 0.03 302.3876343 0.02 307.5850830 0.05 313.2161560 0.50 317.1102905 0.08 331.1311646 0.05 333.3347778 0.05 335.4738770 0.22 341.4541321 0.07 343.3247375 0.02 350.5216675 0.10 379.0748291 0.29 379.7209473 0.04 397.3447266 0.03 399.2946167 0.13 415.4068604 0.28 433.5010986 0.70 447.5844116 0.06 467.3949585 0.20 475.5422363 0.77 503.6501465 0.05 507.2955933 0.07 511.4215698 0.15 517.4485474 0.15 541.5881348 0.08 543.5798950 0.04 559.5019531 0.42 561.4303589 0.11 573.3399658 0.02 577.4996948 4.35 578.7150879 0.07 595.4922485 7.63 596.2888794 0.05 609.5645142 0.12 619.4985962 0.08 631.5560303 0.05 649.6911621 0.19 691.4716187 0.04 703.5793457 0.22 721.5584106 1.33 723.6888428 0.05 737.3571167 0.07 739.4464722 27.60 740.4619751 0.19 743.4033813 0.06 757.4859619 100.00 758.3964844 1.12 763.4639893 0.02 771.8535156 0.06 775.0234985 0.02 781.4343872 0.59 799.4750366 1.00 801.7324829 0.01 811.2949829 0.04 813.4718018 0.04 823.6682129 0.20 845.4351196 0.02 857.3140869 0.06 865.6329956 0.05 873.5587769 0.02 874.3252563 0.19 875.5051270 0.10 883.5632324 0.48 887.4158325 0.03 901.4584351 21.46 902.4628296 0.55 904.4266357 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 731.88 Annotation Unknow Peak:m/z Relative Intensity 228.5857391 0.10 272.9639893 7.93 274.0333862 3.26 275.0299683 4.31 276.0657959 1.03 386.9465332 7.82 387.8746338 3.56 388.9584961 9.34 389.9050903 3.05 500.9065552 25.62 502.0733032 31.10 502.9171143 50.05 503.9601440 15.72 505.0186768 0.52 520.2227173 0.10 569.0073242 0.10 573.5958862 0.32 574.3180542 0.39 576.9118652 0.43 584.1813965 0.30 596.6339722 0.29 610.9976196 0.43 614.8418579 21.90 616.0071411 31.08 616.8805542 100.00 617.8574829 50.98 618.7094116 0.46 627.7736206 0.39 629.0191040 0.18 629.7444458 0.20 655.9630127 0.13 657.0192871 3.93 657.9293823 1.51 658.9859619 0.39 673.9894409 0.10 675.0726318 0.73 675.8706665 0.26 676.8255005 0.12 684.7993774 0.95 685.4084473 0.08 686.2267456 0.54 686.9075928 0.50 711.7523804 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1295.5577 Annotation Unknow Peak:m/z Relative Intensity 363.7523804 0.21 367.2652283 0.52 389.1262207 0.62 403.3823547 0.63 405.5368042 0.29 407.2661743 2.41 409.6048279 0.30 419.4892578 0.60 423.3979492 5.17 435.4297180 8.92 437.3631287 1.84 453.3301086 1.80 481.4793091 18.30 497.6719971 0.15 499.3609619 100.00 500.0139771 0.65 517.4366455 0.72 801.7049561 0.15 807.3432617 2.40 825.4089966 7.72 975.4138184 0.41 987.5432129 93.85 1083.7001950 0.48 1098.9536130 1.29 1127.7226560 0.40 1133.6479490 0.13 1163.8857420 1.40 1164.7008060 4.00 1165.6171880 0.76 1191.4311520 0.34 1205.7934570 0.51 1233.6011960 1.10 1234.5098880 0.46 1238.8991700 1.08 1245.8764650 0.45 1250.6064450 2.27 1256.3735350 0.33 1257.0524900 0.73 1262.0263670 2.38 1264.3660890 0.29 1273.3348390 3.35 1276.8020020 1.36 1277.8654790 0.70 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 639.4 Annotation Crassostrea Secocarotenoid Peak:m/z Relative Intensity 198.3433533 0.09 203.2097168 0.04 205.1912384 0.07 208.9339294 0.07 216.7915039 0.08 221.1146851 0.10 229.1728516 0.18 232.9640503 0.16 249.0801697 0.14 252.3925476 0.17 254.0516968 0.09 254.9775696 0.25 256.1405945 0.07 261.3345642 0.16 267.2066650 0.04 269.1535645 0.31 275.3564453 0.32 277.2420349 0.10 281.4369812 0.05 283.4878845 0.11 285.3140259 0.10 291.1366577 0.08 292.8115845 0.03 309.2243042 0.06 311.4410706 0.26 313.2080688 0.56 316.0135193 0.06 317.2755737 0.14 319.1367493 0.03 325.2727661 0.15 327.1001587 0.68 330.1758423 0.13 336.3734131 0.15 337.1430664 0.13 341.1889038 0.07 351.3815918 0.06 353.3408813 0.05 367.3923340 0.06 369.3073120 1.15 370.5441284 0.43 371.4245605 1.00 372.0555420 0.09 373.2427368 0.17 383.3222046 1.87 385.8428955 0.26 387.3921509 0.36 388.0692139 0.15 389.2732544 3.93 396.3442383 0.15 401.2138672 0.04 403.1060791 0.22 406.6818848 1.09 410.3021851 0.11 414.5444946 0.03 423.4723511 0.52 425.3584595 0.05 428.5358887 0.34 429.6351318 0.15 430.4384766 0.18 441.2575073 4.09 443.4194946 0.36 447.4071045 0.21 455.5173340 0.11 457.5746460 0.17 465.6838989 0.29 467.5322876 0.07 472.5809326 0.10 475.3572388 4.09 481.3283081 0.28 487.6145630 0.54 489.3145752 5.39 495.4132690 0.26 496.4514160 0.10 499.0710449 0.11 515.5668335 0.03 519.4635620 0.11 526.6721802 0.10 529.4158325 0.25 533.4984741 7.75 534.6985474 0.15 539.4707031 0.27 547.5050049 19.68 548.4877319 0.09 549.7248535 0.24 559.3244019 0.18 563.0327759 0.36 566.3707275 0.12 567.4452515 0.18 579.3918457 0.29 581.4609985 100.00 582.0928345 0.28 589.3749390 0.26 595.4793701 0.15 596.4137573 0.11 607.4437256 2.24 611.3477783 1.86 612.3865967 0.05 621.3899536 12.51 622.2460327 0.41 624.5366821 0.03 638.9395142 0.29 639.6303711 0.29 640.6419067 0.45 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 693.28 Annotation Maytanbutacine Peak:m/z Relative Intensity 204.2062531 0.25 214.2686462 0.11 214.9721069 0.04 217.1105957 0.18 221.2896729 0.06 224.1461945 0.14 227.1783142 0.21 233.0694885 0.35 242.2126617 0.05 245.3034058 0.09 253.0168762 0.05 255.1580658 0.11 257.2325745 0.32 259.1507568 1.66 263.3679199 0.26 265.3386536 0.03 266.2521667 0.27 267.3370972 0.14 269.4803467 0.17 270.0891113 0.33 271.0986023 0.09 273.2802429 0.25 277.2124634 0.08 278.9711304 0.07 283.4230957 0.53 284.1433716 0.14 285.3480225 0.28 286.0704041 0.26 287.2279663 1.90 288.0465088 0.12 289.3609009 0.10 297.3109741 0.29 298.1001892 0.08 301.1851501 2.61 303.0285339 0.26 304.9405212 0.40 307.9256287 0.06 311.3245850 0.17 314.7452393 0.38 319.1365967 5.56 321.9589233 0.20 325.1670532 0.83 331.7097778 0.09 335.0609131 0.59 337.0829773 6.97 343.3595886 1.10 345.2642212 0.12 349.2857056 0.17 354.2236328 0.29 357.2077637 1.20 361.2178345 1.78 367.6608887 0.08 371.1227417 0.15 373.4191895 0.30 375.3325195 0.24 378.5137329 0.06 389.2824097 0.43 391.4137573 0.07 397.0334473 0.07 400.5845337 0.11 406.9944458 0.10 409.3790283 0.84 415.2701416 0.14 423.4816895 0.26 427.4274292 1.39 431.3533936 0.06 432.4153442 0.16 433.5272217 0.14 443.8380737 0.26 444.7123413 0.44 445.3527832 2.36 459.4349976 0.04 467.3858643 0.03 468.6539307 0.12 473.3590088 0.11 478.5180054 0.12 487.4469604 0.03 494.3912964 0.11 495.1130371 0.09 498.4051514 0.13 499.4216309 0.25 505.9848633 0.06 510.5075073 0.24 512.1356201 0.10 513.5337524 0.08 514.3337402 0.22 515.2431641 0.13 516.8153076 0.19 517.5332642 0.38 518.4741821 0.30 520.5291138 0.09 522.5275879 0.46 524.3612671 0.37 526.2039185 0.19 528.2106934 0.36 530.3937378 0.05 531.2162476 0.07 535.9376831 0.65 536.5441284 1.25 550.3290405 0.26 557.5701904 0.17 563.4754028 0.10 571.3881226 0.13 574.4797974 0.42 575.5393066 0.12 577.5531616 0.53 581.4704590 0.43 582.9055786 0.20 584.2759399 0.12 587.3204956 0.26 594.2131958 0.17 598.3651733 0.74 599.2916870 1.25 601.6300049 0.57 602.7094727 0.24 605.0092773 0.61 607.2622681 0.25 608.6680908 0.05 613.2765503 0.14 615.0486450 0.14 616.1590576 0.14 617.4329224 1.90 620.4342651 0.19 625.3181763 1.86 629.4538574 0.06 631.4684448 0.48 633.3896484 0.52 634.1170654 0.18 635.1502075 0.05 639.3622437 0.10 641.1542969 0.12 643.1804810 18.52 643.9284668 0.05 647.2361450 0.38 648.7490845 0.12 653.0903931 0.10 657.3615112 29.41 661.1333618 20.68 662.3312378 0.35 663.1324463 0.27 664.7909546 0.21 672.4532471 0.04 675.2444458 100.00 676.3049927 1.33 682.0319214 0.28 683.6106567 0.71 693.3666382 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 693.2748 Annotation Maytanbutacine Peak:m/z Relative Intensity 201.3162842 0.06 204.0125732 0.09 212.8753967 0.07 217.0699158 0.06 220.8892212 0.08 226.1475983 0.07 227.0464783 0.11 233.0841675 0.31 235.1419678 0.04 239.1885681 0.08 241.3715363 0.19 245.2366333 0.10 247.3714905 0.03 249.2899933 0.13 251.4069366 0.25 252.9733429 0.02 253.8929749 0.07 255.0823975 0.44 256.1128845 0.32 257.1653137 0.23 257.8419189 0.15 259.2300415 0.07 260.9167786 0.05 263.1648254 0.04 265.1478271 0.20 267.2291260 0.95 267.9585571 0.04 269.3723450 0.59 270.3003540 0.03 271.3127441 0.10 273.3076172 0.49 273.9251709 0.10 275.1154785 0.19 279.0330200 0.16 283.3377686 0.59 285.2432861 2.36 286.2387695 1.20 287.2837830 1.40 288.2417603 0.03 290.6745300 0.03 291.2760620 0.07 293.4240723 0.18 297.2369385 0.35 297.8987122 0.08 299.2447510 0.17 301.1467896 0.58 302.1839600 0.03 303.2491455 0.09 304.4608459 0.11 305.2501831 0.33 307.0833130 0.10 310.2531738 0.21 311.3410645 0.27 313.1654053 0.21 315.2016602 0.47 319.2770386 1.57 321.3589478 0.14 325.0788574 0.16 329.1094971 0.33 331.3564453 0.03 335.3386841 0.38 337.1341553 0.82 339.4779663 0.04 340.4141846 0.12 353.1815186 0.15 355.1660156 0.29 356.9042969 0.71 361.1277466 1.37 363.1584473 0.46 363.7755127 0.11 365.2904663 0.11 367.1058960 0.14 371.2402954 0.36 373.3418579 1.60 379.1384277 0.03 381.3389893 0.51 383.1530762 0.10 388.1244507 0.06 389.4021606 0.27 391.3015137 2.48 395.5213013 0.04 397.5396118 0.26 399.3762817 0.62 400.2859497 0.09 407.0060425 0.10 409.3682251 5.76 427.3673706 24.50 433.3983154 0.14 445.3638306 100.00 455.3195190 0.03 456.9796143 0.08 458.1315918 0.14 468.9882812 0.09 483.0372925 0.24 483.7525635 0.26 484.3703613 0.19 487.4489746 0.17 495.4085083 0.08 497.2694702 0.04 498.1522217 0.10 504.5532837 0.24 506.3872681 0.22 508.3295898 0.65 510.4378052 0.26 511.2166748 0.12 516.1035767 0.02 520.2046509 0.04 522.3510132 0.15 524.2239380 0.16 527.9638062 0.67 528.7108765 0.04 530.6076050 0.26 531.5876465 0.03 534.2236938 0.05 536.3270874 2.95 537.1912842 0.09 540.1394653 0.42 546.1122437 0.04 553.6012573 0.36 554.4059448 0.55 556.4857788 0.07 559.3078613 0.15 559.9180908 0.04 561.1700439 0.05 563.4572754 0.05 571.6567383 0.09 577.0281372 0.13 581.3230591 0.22 595.6110840 0.06 599.2546997 1.28 601.4923706 0.25 607.2467651 0.35 611.2781372 0.23 613.5496826 0.22 614.6713257 0.05 615.5842896 0.07 616.9707642 0.78 623.8015747 0.19 625.3125610 1.94 629.2207642 0.19 631.4229126 10.65 633.7996216 0.17 634.4304199 0.08 635.4109497 0.05 639.4057007 0.06 643.2575073 11.51 645.6469116 0.13 647.0759277 0.69 649.4588013 0.33 657.3206177 23.04 657.9306641 0.09 660.3294067 1.12 661.3348389 8.88 663.0077515 0.11 665.3941040 0.31 671.3436890 0.12 675.1802979 85.49 675.9227905 0.30 693.9041748 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 549.1459 Annotation Unknow Peak:m/z Relative Intensity 175.4133606 0.14 178.8982086 0.21 181.1336060 0.13 219.9826050 0.34 231.0626984 0.66 249.0093536 3.45 251.2696381 0.60 267.1492310 6.68 275.1543579 0.08 291.3161316 0.38 311.2946777 0.46 341.1666260 0.38 369.2461548 6.28 383.2161255 15.65 384.1007080 2.02 385.1354370 0.06 387.2580566 100.00 388.2908936 0.05 411.0644531 1.02 413.2561646 0.14 429.3254395 2.66 441.3619995 0.31 442.9663696 0.06 459.2673950 0.75 461.2597656 0.10 473.4741211 0.22 485.6460571 0.11 487.6212769 0.27 503.0145264 0.59 504.9018555 0.09 511.2667847 0.25 513.2717285 0.40 519.1159668 0.11 530.5121460 0.23 531.2753906 0.41 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 665.1143 Annotation Unknow Peak:m/z Relative Intensity 207.0882874 0.03 219.0344086 0.01 227.2373505 0.04 229.9078979 0.03 239.3845825 0.01 243.7454376 0.03 252.3721161 0.02 253.1802673 0.03 254.1289368 0.06 255.1666260 0.09 261.0127869 0.01 269.5545654 0.06 271.1526489 0.08 272.2497864 0.02 283.1617737 0.32 284.1677551 0.07 297.1430969 0.01 299.0906982 0.72 300.1046143 0.22 301.1225281 0.03 303.2966919 0.14 307.4193420 0.01 321.2062378 1.27 322.2225952 0.05 328.1614990 11.89 329.1680908 1.55 337.3237305 0.03 343.1293945 100.00 344.1535034 8.20 355.1322021 0.03 357.1712036 0.01 369.6729126 0.01 381.3372803 0.01 385.1445923 0.43 386.4072266 0.02 395.2979126 0.46 396.3113403 0.06 397.1698608 0.04 398.8341675 0.05 401.2044678 0.10 402.0780029 0.05 409.2947388 0.23 413.5169678 0.02 414.4213867 0.02 421.1275635 0.11 425.0800171 0.59 426.2186890 0.10 439.1130981 0.90 440.1621704 0.14 443.2805786 0.01 457.1958008 11.52 458.1539917 1.29 459.5296021 0.03 465.2151489 0.12 475.2051392 0.12 483.1478882 0.24 489.2862549 0.24 501.1208496 63.89 502.1159668 7.51 509.3198242 0.02 519.1150513 49.06 520.1613770 5.97 577.0875854 0.02 579.3110352 0.02 585.7850952 0.01 605.4578247 0.02 619.4041138 0.04 621.4885864 0.03 640.2578125 0.02 647.4152222 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 983.413 Annotation Basellasaponin D Peak:m/z Relative Intensity 291.0463257 0.23 423.7659302 0.06 424.4589539 0.08 468.5877075 0.45 469.2098083 0.06 483.4326477 0.04 485.3106384 0.64 486.5902405 0.21 487.5171509 0.05 549.6359863 0.35 557.6287842 0.05 582.0617065 0.07 594.5005493 0.05 595.5764771 0.16 596.5883179 0.10 598.3748169 0.11 599.5316162 1.45 600.5495605 1.05 612.3316650 0.29 613.7319336 0.07 617.7005615 0.31 639.5932617 0.14 640.4328003 0.05 641.2362061 0.07 643.2926636 0.46 644.4420776 0.28 647.6503906 0.20 648.5387573 0.16 657.4459839 5.01 658.3652344 2.45 659.0130615 0.02 661.5585938 1.31 662.6360474 0.06 699.5122070 0.08 702.6437378 0.12 703.5130615 0.10 715.4555664 0.36 717.6752930 0.11 719.2028198 0.11 720.8770752 0.27 732.6787109 0.19 741.5928955 0.19 743.4704590 0.19 756.7406616 0.09 759.2536621 0.17 760.8209839 0.05 766.4543457 0.12 772.3879395 0.12 773.1026611 0.33 777.5614014 2.02 778.5358887 0.77 801.4020996 0.04 802.7215576 0.09 803.5922852 0.11 805.3835449 0.90 806.5533447 0.34 807.5341797 0.23 819.4721680 18.92 820.6201172 10.00 821.7657471 0.13 823.5192871 72.68 824.5764160 31.37 835.6110840 0.06 845.8599854 0.06 851.5007324 0.30 852.1776123 0.07 863.4985352 13.20 864.5024414 6.19 877.5101318 0.09 879.3535156 1.23 881.4390869 36.48 882.5025635 15.77 893.2695312 0.12 903.6885986 0.15 907.0385742 0.09 909.3662109 0.09 911.5053711 0.25 912.5515137 0.46 920.6014404 0.16 921.4200439 0.58 922.5446777 0.37 924.1861572 3.94 925.2042236 1.14 925.9995117 0.32 932.3073730 0.11 939.4093018 100.00 940.5083008 59.34 941.6153564 0.66 956.4888916 0.28 965.2991943 1.14 966.2309570 0.59 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 551.2351 Annotation Unknow Peak:m/z Relative Intensity 157.0421753 0.19 174.9652252 1.02 178.8678589 0.04 183.0349731 0.10 195.1978760 0.47 213.1820984 0.30 235.0380249 0.16 236.6830444 0.03 266.9495544 0.08 277.0220337 0.16 321.2293701 0.05 323.9893799 0.06 346.3533936 0.04 357.4354858 2.62 370.2924805 0.12 371.3955688 0.10 375.3347168 100.00 376.3929443 0.33 378.3602905 0.09 389.2589111 0.07 391.1884155 0.27 403.5845947 0.23 405.3472900 0.11 415.3170776 0.03 417.2614746 0.46 425.2854004 0.24 445.3947754 1.26 447.0532837 0.14 453.3103638 0.20 461.6287842 0.03 467.4217529 0.19 471.4774780 0.61 475.2469482 0.08 477.2108765 0.13 479.2802734 0.09 489.3941650 6.69 491.3063354 0.95 505.2163696 0.36 506.4512329 0.09 507.4987793 1.35 515.3652954 0.30 518.1614380 0.11 523.4044800 0.15 528.6504517 0.22 533.3466797 11.94 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 341.0909 Annotation Unknow Peak:m/z Relative Intensity 96.8657837 100.00 119.0649338 0.22 122.9250259 1.21 139.0478058 1.87 162.9766693 0.48 167.0946808 0.58 169.0144196 0.81 180.0569763 0.32 223.2002563 3.91 240.9987793 68.41 241.9815674 1.57 243.1090088 1.13 257.0511169 4.66 259.0859985 3.29 306.9804382 2.17 308.1604004 1.32 310.0254517 0.61 313.0232849 0.87 323.1297302 4.26 325.2167053 10.21 326.2230835 5.42 341.1608887 16.82 341.9476624 0.95 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 151.03 Annotation Unknow Peak:m/z Relative Intensity 88.9314575 0.19 105.8111725 0.01 106.9218903 0.02 109.8538666 100.00 110.6037445 0.02 126.6145630 0.02 127.8755035 4.61 130.4049835 1.84 132.3080597 0.01 133.0395508 0.07 138.6409607 0.08 139.2818604 1.00 145.6783295 0.02 147.8869476 0.14 149.2190247 0.01 150.9826508 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 564.3304 Annotation Unknow Peak:m/z Relative Intensity 189.4179077 0.02 202.0782928 0.01 219.9325256 0.05 229.3558960 0.01 229.9837646 0.01 233.9563599 0.04 255.6269684 0.01 256.3441162 0.01 271.1964111 0.02 279.3839722 0.39 283.2093506 0.01 331.7600708 0.03 339.0741577 0.02 339.6917114 0.02 342.7360229 0.05 365.1552124 0.03 377.3070679 0.03 415.3253174 0.08 459.4925537 0.05 467.4007568 0.02 469.1525879 0.05 471.6057739 0.03 473.8290405 0.03 476.1427002 0.05 477.3884888 0.02 481.8404541 0.02 484.3301392 0.13 488.1898193 0.05 492.4374390 0.02 504.3709106 100.00 505.4273682 0.33 507.3478394 0.01 509.7064819 0.15 510.3880005 0.09 517.4320679 0.05 519.3120728 0.10 520.8786011 0.09 526.3063354 0.11 528.1353760 0.19 544.8355103 0.05 545.9562378 0.19 548.3421021 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 316.84 Annotation Unknow Peak:m/z Relative Intensity 96.9319153 0.05 232.9661865 12.15 244.0418701 0.29 270.9458923 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 839.3348 Annotation Unknow Peak:m/z Relative Intensity 241.3666687 0.05 271.1267700 0.02 277.2338257 0.02 279.2056580 0.33 286.9052124 0.06 288.3498840 0.03 291.2202148 0.05 301.9897461 0.03 313.2516479 0.18 314.4696045 0.06 325.1704712 0.09 331.2124329 0.05 331.9189453 0.04 345.1738892 0.19 346.2841797 0.03 355.2771606 0.08 367.2180176 0.07 376.4161377 0.21 402.2821045 0.08 416.4511719 0.06 426.2255249 0.03 432.2225952 0.10 442.6336060 0.02 444.2966919 0.28 458.1588745 0.03 460.3211670 0.02 465.4764404 0.03 466.2407837 0.04 470.3356934 0.33 476.4038696 0.07 481.4703979 0.04 483.6100464 0.15 488.3406372 3.21 497.7291260 0.08 498.5514526 0.09 499.3145142 0.43 508.2856445 0.08 520.3226929 7.25 541.3878174 5.70 553.2611084 0.06 555.3250122 0.02 557.3649902 0.14 564.9914551 0.02 567.6152344 0.05 585.3051758 35.93 586.0126953 0.16 609.6281128 0.10 615.6047974 0.10 617.3003540 84.66 618.0164185 0.58 626.1246948 0.19 627.2434692 0.07 633.8007202 0.04 639.7991943 0.03 641.3245239 0.14 644.2355957 0.04 647.3181763 0.19 649.5378418 0.05 650.5210571 0.10 655.4859619 0.37 657.2139893 0.04 658.2901001 0.05 659.4308472 0.58 663.4822388 0.05 664.2617188 0.32 665.3834839 0.13 669.4265747 0.02 670.1236572 0.10 672.4116821 0.03 677.4177246 1.32 684.7490845 0.02 695.4336548 0.04 700.8832397 0.10 706.6531372 0.23 716.9512329 0.05 721.6549683 0.05 743.5938110 0.05 744.5188599 0.13 747.7273560 0.12 748.5196533 0.13 762.3828735 0.56 763.6193237 0.27 766.6951294 0.13 776.8950195 0.20 779.6054077 0.19 789.3539429 10.74 790.1071777 0.18 794.3228149 0.34 806.3512573 27.22 807.4062500 100.00 808.2573853 0.01 811.4993286 0.20 821.3391113 15.54 822.5553589 0.32 823.5370483 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 399.0961 Annotation Unknow Peak:m/z Relative Intensity 118.9464417 0.35 126.6745300 0.05 134.2111511 0.04 136.1673431 0.18 150.0372620 0.03 163.0308380 3.15 179.0535278 0.06 180.0400696 44.30 189.9832611 0.23 190.9379272 0.11 195.0664978 0.08 199.0995789 0.03 218.0181580 100.00 219.0012360 0.43 220.7689362 0.04 232.9187012 0.12 235.6348572 0.06 259.0040894 0.14 267.2656860 0.49 268.0876465 0.12 269.1497192 0.06 275.0757446 0.04 283.5534363 0.03 291.1032715 0.21 309.2764893 0.04 311.1934204 0.04 324.3986206 0.05 336.2833862 0.20 337.8783569 0.06 340.6423340 0.02 352.3181458 0.32 353.3666382 1.25 354.4969788 0.10 355.5287476 0.05 357.4094543 0.20 361.2574158 0.06 363.0227966 0.03 369.1473083 0.02 370.4456482 0.13 371.4818726 0.05 380.3231201 0.27 381.2295837 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 383.1556 Annotation 2,3-Butanediol apiosylglucoside Peak:m/z Relative Intensity 112.9588547 1.80 114.9738693 0.38 124.8838043 1.53 129.2986755 0.05 131.0451050 1.03 134.0263824 1.11 136.8451080 0.77 143.0643311 0.87 145.0076752 0.32 149.0643921 1.62 158.9449768 2.05 160.9432373 17.48 175.0966034 0.10 177.1487732 0.08 178.9080505 0.64 181.2719879 0.16 191.0759735 1.08 206.1159058 3.22 207.2157745 0.57 210.1171570 0.04 215.3052979 0.07 219.3003693 0.33 220.2084503 0.15 230.9907532 0.12 233.1082153 3.94 237.1219482 0.21 245.0568237 0.13 248.9629822 0.04 251.0966492 100.00 252.1077576 0.06 263.1423035 0.10 266.8974915 0.39 281.2234497 0.08 291.1195984 0.13 293.0903931 2.73 295.3385620 0.25 299.1513062 1.28 301.4771118 0.32 307.2658691 0.11 310.3593750 0.27 312.2138977 0.18 323.2509766 0.30 337.3735352 1.63 338.4892578 0.11 339.2033081 0.47 341.1313171 0.10 346.7486572 0.08 347.5125122 0.64 351.1915283 0.06 363.1470947 0.08 364.3301086 0.88 365.2145081 1.67 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1321.5742 Annotation Unknow Peak:m/z Relative Intensity 430.2327576 0.17 435.2989807 0.13 453.1327515 0.06 455.3132935 0.64 481.5308228 0.39 499.4531860 1.57 517.3739014 0.54 559.4080200 0.15 570.2935791 0.22 627.4359741 0.18 645.3853760 0.21 651.4622803 0.37 705.2445679 0.11 787.2514648 0.08 807.5177002 0.37 825.4411621 0.17 833.7194824 0.12 867.8433838 0.25 886.3969727 0.09 909.6944580 0.10 935.9345703 0.05 960.0527344 0.08 971.5349121 1.78 981.2086182 0.19 982.2940674 0.07 989.5893555 0.19 995.3988037 0.74 1013.5250240 100.00 1014.7720950 0.30 1015.8001710 0.06 1042.7729490 0.07 1128.3557130 0.04 1141.7148440 0.20 1158.2612300 0.32 1158.9504390 0.04 1166.5684810 0.09 1189.4406740 1.69 1190.5295410 5.60 1191.4725340 0.92 1217.8820800 0.13 1259.8222660 0.27 1261.5915530 0.07 1272.1895750 0.55 1275.2509770 0.04 1276.3258060 0.22 1277.2827150 0.19 1289.5271000 0.16 1303.2410890 1.41 1303.9514160 0.38 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 757.1829 Annotation Quercetin 3-sambubioside-7-glucoside Peak:m/z Relative Intensity 213.2021027 0.48 219.1530609 0.54 225.2310028 0.50 225.9812622 0.66 227.1270142 1.03 229.0551758 2.55 232.9624176 0.71 239.2238312 0.25 241.1028748 0.08 242.4378052 0.28 243.1714783 1.02 247.1787109 0.29 253.1591339 0.21 254.0184631 1.67 255.1531067 10.04 255.8895721 0.12 257.1841431 1.24 258.7473145 0.15 263.1360779 0.37 264.9783936 0.74 271.1486816 23.59 272.3118896 2.05 273.1105042 6.99 275.0625000 0.39 277.2532959 0.18 279.2510376 0.22 281.1178589 0.94 283.0033875 1.96 284.1540527 0.37 285.0434265 1.08 287.1682129 0.93 291.1590576 0.85 293.5306702 0.57 295.0346375 0.32 297.0206299 1.67 299.0066833 12.59 300.0439758 100.00 301.0667419 72.79 302.0751343 2.58 307.3925781 0.13 309.2914429 0.79 310.0904236 0.23 310.9918213 0.52 313.0828857 0.89 314.1299438 0.64 315.1777344 0.23 321.0787048 0.35 323.3422852 0.66 325.1503601 8.91 327.2805176 3.01 337.1955566 2.30 339.1521606 0.85 341.1783447 1.46 343.1839600 41.25 344.1846924 2.94 346.1253662 0.15 347.2130127 0.34 349.0410156 1.27 353.1431274 2.19 355.1016235 6.32 365.3189697 0.80 367.0336914 2.93 371.2379761 0.34 373.0498047 7.67 381.2009277 1.04 382.1541748 0.35 383.0696411 0.35 385.2351685 1.63 389.1784668 1.48 390.9602661 0.32 403.0042725 0.63 409.2159424 4.75 413.0942383 0.59 427.2009888 1.97 431.1306152 2.59 437.5447998 0.90 443.0560303 0.15 444.9843140 0.61 447.4395142 0.21 454.1340332 0.44 455.4459229 0.44 459.1601562 0.34 463.1219482 3.10 475.2556763 32.89 476.2333984 0.37 481.3839111 2.87 483.2624512 0.27 489.6350098 0.68 495.3085327 0.63 497.6515503 1.19 498.3134155 0.21 505.1943359 0.48 516.8142090 0.12 517.5286865 0.14 518.3734131 0.44 521.3663940 1.12 529.3273315 0.30 539.1043701 0.35 543.0165405 1.05 545.2238770 0.33 548.5791016 0.33 553.3057251 1.07 561.3082886 0.41 563.3083496 10.63 564.0789185 0.68 565.2407837 0.46 569.2681274 1.02 571.1054688 1.05 577.2789917 2.20 579.1016235 1.30 582.4004517 0.41 589.1539307 6.87 595.1066284 7.54 596.4547119 0.16 605.6735229 1.02 607.2435913 66.77 608.3593140 0.61 609.4907837 0.46 611.4036255 0.11 612.4371948 0.93 621.3034058 1.04 623.0230713 0.22 624.2473145 2.32 625.2651978 75.37 626.2164917 1.35 627.5024414 2.04 628.1433105 0.36 631.2662964 2.17 635.3944092 0.57 637.2827759 1.19 641.4826050 0.26 647.2692871 0.57 648.1469116 0.59 652.6496582 0.13 660.5281982 0.22 667.2994995 3.44 669.3770142 0.19 670.7692261 0.13 676.1456909 1.03 684.6057129 0.15 692.7247925 0.20 695.2278442 0.49 696.6512451 0.22 712.4634399 1.30 713.4910889 1.89 715.3253784 0.33 718.1742554 0.21 721.3024292 0.96 729.5259399 0.65 739.3501587 16.76 740.5455322 0.42 748.5029907 0.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 493.3153 Annotation Achyranthesterone A Peak:m/z Relative Intensity 154.9992065 0.42 156.9833221 0.10 166.0188141 0.13 173.0207520 0.71 177.8891602 0.06 209.2186890 0.70 218.9755249 0.10 239.5052032 0.32 242.0382080 0.42 247.1122894 0.13 249.1691132 0.22 254.6526489 0.06 255.3079529 0.39 263.1715698 0.08 267.1991577 0.41 268.3536682 0.29 281.0104980 0.05 282.4061890 0.21 283.0265808 0.16 283.6408386 0.11 284.3915100 0.16 285.3048096 0.74 286.3468628 0.06 296.2458496 0.29 299.2367249 1.09 299.9966125 0.33 301.2118225 8.31 303.2849731 9.33 307.8900452 0.09 309.0932312 0.39 313.1021423 0.56 315.0639038 0.51 317.1759644 0.09 319.0650635 0.14 325.1331177 0.42 329.4446716 1.08 331.1112366 0.22 337.8747559 0.17 343.5883789 0.16 344.9405518 0.06 353.6105347 0.15 356.9184570 0.13 357.5609436 0.11 358.1842041 0.15 359.1840820 0.12 361.3049927 0.09 362.1868896 0.07 366.3090210 0.30 369.1878662 0.09 372.1735535 3.21 373.2658691 3.25 385.2951965 0.08 389.5812683 0.15 397.1584473 0.51 399.3600159 4.83 403.3393860 0.31 404.4926453 0.29 414.1803894 0.41 416.1860046 0.10 419.5877380 0.20 421.4642944 2.82 429.1121521 0.05 433.4828186 0.31 434.9944763 0.34 437.1641541 0.21 438.5998230 0.63 439.3057251 4.10 440.4357605 0.20 444.7078552 0.24 445.3625183 0.69 447.2700806 2.26 448.4064331 0.18 449.5711670 0.11 457.3422241 48.65 465.2079773 0.34 470.7672424 0.20 475.2655945 100.00 476.4622498 2.21 478.4290161 0.27 483.8628845 0.52 492.7373657 0.28 493.8521423 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 983.88 Annotation Unknow Peak:m/z Relative Intensity 291.0299377 0.06 307.2518616 0.66 309.1110535 0.48 335.0425110 0.37 423.3982239 3.09 485.6455078 0.11 585.1779785 0.60 589.4488525 0.11 599.7840576 0.19 641.3041992 0.41 643.4613037 0.69 647.4319458 4.95 657.4323730 0.48 675.3375244 1.29 761.3933105 0.45 762.2290039 0.22 775.4899902 0.05 777.3953857 0.61 785.4947510 0.05 789.5833740 0.14 801.2482910 0.06 805.5415039 0.83 819.4803467 3.60 821.5554199 1.19 823.4859619 41.28 833.3956299 0.24 851.4342041 0.08 863.3951416 8.19 864.0043945 0.03 877.8063965 0.19 879.4580078 1.24 881.3516846 50.15 882.1419678 0.15 908.8758545 0.04 911.6848145 0.20 919.4211426 0.11 921.3370361 2.18 921.9454346 0.18 923.7445068 2.14 924.4239502 10.33 939.4619141 100.00 965.3475342 3.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1234.2147 Annotation Unknow Peak:m/z Relative Intensity 370.0154724 0.17 381.4673462 0.66 386.5013123 0.34 407.2666016 0.14 427.6670532 0.22 434.3634338 0.26 449.3186951 0.20 452.3536987 0.12 471.1484375 0.17 472.5139771 0.21 473.9664307 1.17 479.1979980 0.24 483.2926025 0.46 487.9698486 0.60 495.3301392 0.56 510.4718933 0.18 513.5125732 0.45 527.9577637 0.57 530.5435181 0.33 534.6469727 0.25 541.5593872 0.14 550.0399170 0.13 552.2344360 0.13 558.4056396 0.47 559.6835938 0.73 565.0050049 0.66 566.9908447 0.54 569.3237305 0.19 572.3950806 0.13 585.4468994 0.37 586.6026611 0.13 587.2570190 0.52 593.2911987 0.15 611.5780640 0.32 623.3259277 0.23 633.3078613 0.55 643.2631836 0.65 649.5603027 0.68 656.2717285 0.24 657.2681885 0.12 657.8691406 0.71 669.5609741 0.35 680.1833496 1.17 681.5488281 0.11 686.9717407 1.17 694.3221436 0.16 697.9538574 0.40 699.5035400 0.09 702.3652344 0.57 707.3371582 0.35 710.6412964 0.62 712.5911865 1.03 715.9543457 0.30 721.3838501 0.09 730.7389526 0.74 740.4398804 0.78 745.9722900 0.37 750.6540527 0.87 763.6187744 0.76 765.4299316 0.18 770.6754150 0.17 778.4314575 0.36 795.6746826 0.09 798.3173828 1.72 799.2484131 0.84 810.6129150 0.75 811.4791260 1.46 813.5615845 0.31 821.8819580 0.12 827.9164429 0.20 828.7120361 0.67 831.8307495 0.72 832.5662842 0.95 839.5473022 2.28 840.6387939 1.25 841.7239990 1.37 844.6907959 0.25 851.4822998 1.13 857.5802002 1.18 861.5520020 0.10 875.5253906 0.43 878.5897217 1.11 903.2802734 0.49 907.5061035 0.09 908.5976562 1.04 909.5197754 1.34 910.6569824 0.45 926.8759766 0.67 941.5812988 0.64 947.0281982 0.44 957.7297363 0.32 959.1005859 1.94 964.4066162 0.81 972.3922119 1.41 974.7225342 0.74 976.1843262 1.75 984.7348633 1.32 989.6148682 0.21 990.3820801 0.29 992.7451172 0.45 996.2391357 1.89 999.7308350 2.70 1007.4716800 0.62 1008.1469730 0.47 1009.1440430 1.46 1014.2648930 1.62 1014.9519040 0.47 1017.7106930 2.14 1020.0280760 1.21 1024.3616940 1.55 1027.2443850 1.26 1028.5974120 0.57 1031.3945310 0.43 1034.3608400 0.24 1036.6136470 3.50 1038.5681150 3.10 1039.5568850 0.72 1040.7165530 1.24 1042.9742430 2.51 1043.7988280 1.92 1044.8891600 1.89 1046.1987300 0.29 1046.8094480 0.95 1053.2633060 0.81 1054.9104000 1.47 1055.8033450 0.47 1058.2121580 2.85 1059.4108890 1.86 1065.1131590 0.80 1065.9046630 1.32 1066.6461180 1.59 1068.7430420 0.23 1069.3651120 1.03 1070.3209230 0.52 1070.9937740 1.28 1072.6384280 1.88 1073.4554440 3.39 1074.1810300 2.56 1075.1181640 4.55 1076.3364260 3.38 1077.5822750 0.21 1079.2323000 1.48 1081.2216800 3.60 1083.0529790 2.81 1084.0623780 1.55 1085.2320560 2.54 1086.9232180 0.77 1088.6290280 1.92 1089.5202640 1.50 1090.5097660 0.58 1091.5502930 0.97 1092.6699220 0.57 1093.8033450 1.35 1094.8958740 1.40 1096.1254880 0.39 1098.0605470 0.60 1099.2410890 4.67 1100.1511230 1.79 1101.0057370 3.62 1101.9567870 3.40 1103.2674560 1.52 1103.8947750 0.97 1104.6722410 1.55 1105.8193360 0.59 1108.2226560 3.36 1109.0776370 2.65 1111.5397950 0.77 1112.8583980 1.97 1115.0227050 7.23 1116.3784180 1.91 1117.1029050 2.18 1118.8607180 7.98 1119.5633540 3.21 1121.0427250 4.68 1121.7590330 1.29 1122.9250490 3.27 1123.9196780 1.72 1124.6472170 3.62 1125.2597660 0.73 1127.5590820 4.33 1128.3355710 3.11 1129.2082520 3.13 1130.4982910 10.16 1131.6805420 2.51 1132.4306640 4.31 1133.4176030 1.59 1134.1027830 0.39 1136.1123050 1.85 1137.6341550 4.12 1138.8217770 4.60 1139.4486080 1.06 1140.7937010 0.53 1141.8367920 4.90 1142.5544430 0.85 1144.7640380 3.45 1145.5853270 0.26 1146.6182860 3.82 1147.6511230 17.12 1148.6296390 10.42 1149.4228520 0.23 1150.3223880 2.14 1150.9506840 0.65 1151.6020510 0.79 1152.5126950 4.04 1153.3803710 7.07 1154.2663570 5.93 1155.3679200 1.68 1156.8132320 16.03 1157.8665770 1.99 1158.7261960 5.27 1159.7785640 3.72 1160.5313720 3.29 1161.4578860 5.84 1162.1013180 2.41 1163.5046390 14.42 1164.4899900 4.84 1165.6594240 5.20 1166.7998050 3.83 1167.4096680 4.28 1168.3593750 4.72 1169.3649900 6.30 1170.8142090 12.44 1171.6086430 2.97 1172.6634520 0.70 1173.7508540 6.03 1174.6180420 6.53 1175.3537600 6.59 1176.5140380 10.57 1177.1770020 7.62 1177.8178710 1.47 1180.0190430 28.56 1180.9072270 13.32 1181.7562260 4.85 1182.3911130 4.43 1183.6748050 3.91 1185.1029050 13.10 1186.2224120 100.00 1187.3071290 8.50 1187.9923100 9.15 1189.4821780 10.30 1190.2341310 11.27 1191.0435790 26.15 1191.9127200 9.53 1192.7517090 4.52 1193.5997310 3.92 1194.5551760 2.51 1195.2563480 1.11 1196.3969730 75.00 1197.0985110 31.79 1197.7299800 10.25 1198.5261230 0.54 1199.5427250 7.44 1200.6901860 10.74 1202.1102290 23.69 1203.3017580 1.06 1204.4643550 0.40 1205.2705080 4.27 1205.9416500 4.39 1207.2695310 3.09 1208.4550780 19.46 1209.2111820 4.55 1209.9693600 4.41 1210.7211910 3.84 1211.6467290 1.11 1212.2596440 0.51 1213.5280760 13.24 1214.4414060 11.91 1215.3374020 3.61 1217.0710450 17.20 1217.7532960 4.96 1219.5451660 70.50 1220.4758300 9.20 1221.2849120 0.84 1222.7545170 22.15 1223.5166020 13.10 1224.2325440 1.37 1225.6511230 2.11 1244.6726070 0.93 1250.5205080 0.07 1260.1926270 1.38 1261.0007320 0.90 1262.3756100 1.48 1263.4965820 0.29 1266.6466060 0.30 1267.7672120 1.98 1274.9072270 0.47 1281.0415040 1.14 1282.6033940 2.63 1283.6164550 0.71 1284.2563480 0.18 1288.8768310 0.77 1289.9589840 2.84 1292.0709230 1.29 1292.7147220 0.43 1294.3315430 0.52 1295.0948490 2.89 1299.2783200 0.32 1304.9658200 0.44 1305.5828860 1.72 1306.4001460 1.26 1307.2714840 1.61 1310.0827640 0.88 1313.2558590 0.79 1314.6955570 0.78 1315.7733150 1.53 1317.2312010 0.77 1318.1297610 0.25 1320.3706050 0.97 1321.0629880 0.66 1323.2917480 0.18 1324.7287600 2.77 1325.6882320 1.39 1330.4206540 1.00 1331.7318120 0.93 1333.7899170 2.50 1334.9848630 0.70 1335.7453610 0.50 1336.5364990 0.36 1337.9293210 2.94 1340.7905270 0.55 1343.7565920 1.83 1344.3587650 0.39 1346.0043950 0.84 1350.1406250 1.43 1351.8801270 0.49 1352.6394040 0.58 1354.8348390 0.67 1355.7440190 0.26 1356.3887940 0.79 1358.4208980 0.72 1359.5572510 0.28 1361.5382080 1.81 1363.4157710 1.35 1364.6124270 1.35 1365.3717040 1.93 1366.9654540 2.46 1369.1907960 1.24 1371.2242430 0.76 1373.2847900 0.38 1374.3969730 0.17 1377.4409180 0.19 1383.4251710 1.94 1386.3876950 0.89 1387.9326170 1.69 1393.2822270 0.80 1394.5454100 0.09 1396.0802000 1.05 1397.3741460 0.24 1398.8503420 0.88 1400.7578120 1.10 1403.4226070 2.12 1404.4764400 0.49 1405.1873780 3.43 1406.5030520 1.44 1407.9761960 1.38 1409.0266110 1.21 1412.3112790 0.72 1413.3082280 0.60 1414.1711430 2.73 1415.5570070 0.39 1418.6623540 1.21 1420.4453120 0.19 1422.9234620 2.68 1423.7987060 3.43 1425.2661130 1.21 1426.5238040 3.82 1432.0645750 7.16 1432.7111820 1.71 1434.7073970 0.52 1436.0208740 2.59 1436.8822020 0.72 1437.4842530 3.09 1438.1251220 2.86 1439.2777100 6.06 1440.4930420 1.24 1441.2451170 0.21 1442.3834230 0.55 1445.2712400 1.78 1445.8836670 2.59 1446.5062260 1.09 1452.3488770 0.66 1454.0045170 3.67 1456.1634520 0.50 1457.7861330 0.34 1460.0853270 0.81 1461.1627200 0.42 1462.1727290 0.56 1465.8802490 0.90 1467.4178470 0.82 1468.3266600 2.10 1469.1973880 2.10 1470.3392330 1.14 1471.6087650 0.49 1472.8937990 2.71 1474.2946780 0.79 1475.0423580 2.11 1476.7921140 1.20 1477.8243410 0.36 1478.6658940 0.31 1480.3730470 1.39 1481.8140870 3.42 1482.7313230 1.53 1483.6873780 0.13 1485.5860600 4.82 1486.4306640 5.31 1487.4653320 1.57 1488.1273190 1.17 1489.5997310 0.48 1490.8028560 5.82 1491.7540280 0.67 1493.4525150 5.20 1494.9752200 0.24 1496.1854250 2.67 1497.8507080 1.48 1500.4815670 1.08 1501.6524660 2.54 1502.2886960 0.26 1504.1036380 2.36 1505.1010740 0.13 1506.1555180 0.24 1507.2944340 2.92 1509.2060550 0.38 1510.1698000 2.92 1511.5061040 1.98 1512.2232670 3.15 1512.9841310 0.52 1514.4608150 4.12 1515.4088130 2.65 1516.2506100 0.84 1517.5213620 2.08 1518.8344730 4.33 1519.5054930 0.07 1522.1124270 2.83 1522.7691650 0.72 1523.8520510 1.16 1525.6351320 0.53 1526.4803470 2.40 1527.4877930 0.81 1528.2274170 1.14 1529.6339110 2.94 1530.8331300 1.09 1531.6966550 1.32 1533.1018070 1.04 1535.1225590 0.17 1536.7532960 1.18 1538.4694820 1.10 1542.3441160 0.96 1543.7639160 0.75 1546.5950930 0.81 1547.8897710 2.96 1549.6829830 1.83 1550.3756100 0.64 1552.0251460 1.53 1552.9029540 0.96 1553.6973880 0.51 1555.0933840 2.17 1555.8664550 1.05 1556.7742920 2.36 1557.6893310 0.22 1559.2198490 0.80 1559.8956300 0.17 1561.1610110 1.87 1562.3114010 1.26 1565.0928960 1.51 1566.7851560 0.77 1569.7229000 0.77 1572.5539550 1.86 1573.6917720 1.74 1576.8238530 1.97 1577.9240720 1.52 1578.9827880 1.33 1582.3800050 0.77 1584.1684570 1.18 1585.8525390 0.58 1587.6755370 0.33 1588.7039790 0.87 1589.8542480 0.17 1591.3779300 0.70 1596.1755370 0.72 1596.9053960 1.10 1597.9511720 0.61 1598.8399660 1.93 1601.5563960 1.33 1603.2288820 0.44 1605.4412840 0.51 1606.5728760 0.42 1607.6011960 2.05 1608.4284670 0.53 1610.1020510 1.06 1611.1474610 1.85 1612.2789310 3.08 1613.2926030 0.80 1614.5517580 0.57 1615.3741460 1.80 1617.1795650 3.07 1618.5668950 2.51 1621.5793460 1.40 1622.7143550 1.57 1624.3641360 0.21 1625.5167240 0.48 1626.6245120 0.25 1627.9378660 0.74 1628.9073490 1.68 1630.4088130 2.49 1631.0428470 0.54 1632.0301510 1.91 1632.8208010 0.52 1633.8133540 1.31 1634.6463620 1.17 1636.3801270 1.28 1637.1505130 0.32 1638.2327880 3.09 1639.3006590 0.59 1641.4210210 0.78 1642.9124760 1.48 1643.5316160 0.57 1645.0323490 1.13 1646.1324460 1.30 1649.2059330 2.01 1650.3353270 1.49 1651.8625490 3.49 1652.5614010 6.38 1653.2042240 4.96 1654.7413330 0.52 1655.4638670 0.96 1656.7435300 0.29 1657.8156740 1.63 1658.9522710 1.01 1660.5364990 3.23 1661.3775630 2.76 1662.5097660 1.94 1663.2293700 1.37 1664.9357910 0.20 1666.7218020 2.92 1667.7642820 0.72 1669.5812990 1.19 1670.4500730 0.20 1672.4311520 5.85 1673.3330080 0.83 1675.6639400 0.43 1676.6993410 4.15 1677.4346920 1.24 1678.7082520 3.86 1679.8908690 0.56 1680.8067630 2.55 1682.0333250 6.25 1683.1488040 1.66 1684.2379150 1.68 1685.2508540 2.20 1686.2238770 3.63 1687.5434570 0.14 1689.6280520 1.99 1691.1363530 0.45 1694.0484620 1.83 1695.5050050 10.72 1696.2105710 2.00 1697.3455810 1.50 1698.7044680 0.54 1700.9002690 0.35 1701.5218510 0.46 1702.5621340 2.46 1703.8400880 1.54 1705.3333740 1.47 1706.3287350 0.42 1707.4104000 0.71 1708.2493900 0.95 1709.3576660 2.83 1711.0950930 0.35 1711.7225340 0.50 1712.3562010 1.18 1712.9620360 2.69 1715.8624270 0.62 1716.9981690 8.09 1717.6442870 4.07 1719.9520260 4.19 1721.3668210 8.80 1722.0118410 0.35 1723.9522710 0.76 1725.6066890 7.46 1726.4595950 4.22 1727.2681880 0.30 1728.2657470 0.20 1729.0709230 3.74 1729.7882080 7.20 1730.6477050 7.26 1731.4138180 0.32 1732.6038820 0.59 1734.2105710 20.74 1734.9993900 15.60 1736.0230710 3.20 1737.2874760 1.02 1738.0744630 0.39 1739.3225100 2.25 1741.7233890 0.45 1743.1916500 1.02 1745.1477050 0.97 1746.5749510 0.41 1752.1612550 1.08 1756.0974120 1.44 1756.7204590 1.45 1757.5086670 2.47 1761.0203860 3.60 1763.2408450 1.23 1763.8927000 1.21 1765.9254150 2.89 1768.8878170 1.46 1769.7987060 3.74 1770.9085690 0.90 1772.0603030 2.15 1773.4183350 0.88 1774.7764890 1.49 1776.8394780 0.35 1778.3098140 13.28 1779.2355960 4.97 1779.9471440 0.57 1780.9787600 1.25 1786.0085450 0.90 1787.0881350 0.21 1795.0892330 0.75 1801.1135250 0.60 1802.3917240 1.76 1804.8724370 0.44 1805.5479740 0.62 1813.3924560 0.20 1823.8576660 0.46 1830.5906980 0.09 1832.0677490 2.71 1843.3712160 0.19 1850.5328370 0.56 1868.3218990 3.25 1871.2528080 0.80 1879.9431150 0.27 1901.6047360 0.87 1919.2048340 0.78 1919.9401860 0.62 1924.2849120 0.33 1942.2645260 0.52 1951.9578860 0.78 1980.4812010 0.90 1996.7093510 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 992.4333 Annotation Unknow Peak:m/z Relative Intensity 279.0176697 0.12 281.0223389 0.21 284.2155151 0.08 286.4648132 0.20 289.4081726 0.04 290.2232361 0.27 292.0173645 0.05 294.0101318 0.08 295.0938721 0.26 298.2422485 0.04 301.2488708 1.30 308.1076660 0.07 309.2355957 0.06 311.1545715 0.03 313.0260315 0.03 315.1368408 0.15 317.9903564 0.04 322.1666260 0.17 323.1693726 0.15 324.8599243 0.15 327.1207886 0.06 328.2854309 0.16 330.0521545 0.13 333.6864929 0.08 335.1453552 0.03 336.1161499 0.13 337.9518433 0.04 339.4413147 0.37 340.0926208 0.61 341.4937744 0.03 354.3273010 0.03 356.1278687 1.16 357.2702332 1.11 358.2442932 0.61 362.5753784 0.11 364.3426819 0.17 373.2581177 0.08 374.2371216 0.10 381.3436890 0.07 382.3921814 0.98 384.1284180 0.58 389.1765137 0.04 392.0184326 0.22 395.7313232 0.14 400.2827148 0.32 404.4033508 0.07 407.3626099 0.03 408.2289734 0.08 409.4896545 0.11 410.2713623 0.14 412.4937134 0.03 414.4220276 0.10 418.1632080 2.06 419.1813965 0.06 420.5484314 0.05 421.3647461 0.19 422.4124756 0.10 425.8076477 0.37 426.5090942 0.13 427.7451172 0.30 428.3788452 0.03 433.6014404 0.04 439.2686462 0.14 440.3487854 1.72 442.3706360 0.19 446.1171265 0.08 447.3175659 0.03 449.2928772 0.08 450.2875977 0.08 454.3314819 0.11 456.2978516 0.27 457.2448425 0.26 458.1920166 0.13 459.2608948 0.08 461.5918884 0.07 465.2221069 0.22 467.2896118 0.22 468.2106323 0.08 470.3518066 0.64 471.4193726 0.09 472.5593872 0.08 473.2790833 0.13 475.3126831 2.10 476.2246094 0.98 477.2964783 0.15 478.2698364 0.05 483.3310547 0.30 484.1860962 0.13 485.4900818 0.08 489.7437744 0.19 491.4376831 0.24 492.4407654 1.01 493.3191223 0.10 495.2883606 0.17 500.8661194 0.09 501.5184631 0.65 502.4250488 0.22 504.2935181 0.13 509.1825256 0.03 510.5031128 0.22 512.3696289 0.18 513.1941528 0.17 515.3328247 0.54 517.8966675 0.90 518.6168213 2.01 519.3948975 1.68 521.3292236 0.11 527.5654297 0.05 528.3945312 0.12 530.3638306 0.61 532.2535400 0.25 533.2959595 0.78 535.2305908 0.24 537.2888184 0.05 542.1381836 0.14 545.3254395 0.07 547.3883057 0.63 548.5026855 0.05 555.1866455 0.11 556.4097290 0.12 557.2178955 0.32 558.3488770 1.76 559.0899048 0.25 567.6662598 0.17 568.4635010 0.08 570.6217041 0.04 571.2981567 0.09 573.8049316 0.16 575.3148193 1.55 576.1051636 0.25 579.4157715 0.03 590.4686279 0.19 591.4143066 0.14 593.0560303 0.26 594.4742432 0.07 599.8569336 0.03 601.4743652 0.06 602.4687500 0.08 606.5427856 0.09 607.2603760 0.05 610.4531250 0.06 612.5148926 0.09 613.3765869 0.07 618.2296143 0.15 619.3402100 0.11 624.5980225 1.70 625.3575439 0.09 627.2869263 0.07 630.3714600 0.22 634.4617920 0.07 636.3785400 1.55 639.3377686 0.02 640.7088013 0.14 642.0660400 0.26 643.2294922 0.06 645.6011353 0.03 647.0863037 1.00 648.4062500 0.18 649.4494629 0.21 650.2543335 1.00 651.7942505 0.34 652.4868164 0.22 654.3701782 0.08 658.2897949 0.54 659.6674805 0.11 662.5773926 0.11 665.0689697 0.36 667.3200684 3.86 668.4385986 0.22 670.3401489 1.54 675.3194580 0.03 676.6174927 0.57 677.6425781 0.17 678.6511230 0.46 684.1756592 0.48 685.2702637 0.05 688.1938477 0.03 691.5283813 0.11 693.2485962 0.81 695.3172607 12.32 696.5495605 0.61 702.5437012 0.17 706.4316406 0.07 710.1893311 0.14 711.5097046 0.15 712.3393555 1.12 713.3485107 1.84 714.4850464 0.29 715.4399414 0.07 716.4783325 0.06 719.1688232 0.30 720.1591797 0.12 721.3928833 0.11 723.1685791 0.09 725.4895020 0.19 728.0906982 0.06 728.7827148 0.03 730.4002686 0.68 736.4820557 0.11 738.0885010 0.07 739.1995239 0.18 742.3593750 0.09 743.2331543 0.21 746.3322754 0.02 747.4985352 0.16 749.3088379 0.04 752.1229248 0.13 753.5137939 0.07 756.5634155 0.19 757.5709229 0.28 759.4970093 0.26 764.4224854 0.54 768.1127930 0.09 769.2939453 0.33 770.7629395 0.30 771.5958252 0.38 773.4525146 0.14 774.7490234 0.13 775.4582520 1.35 778.7287598 0.04 782.6257324 0.23 783.4047852 0.09 785.5573730 0.17 787.3408203 0.65 788.2620850 0.12 789.4626465 0.11 790.6939697 0.15 792.3760986 5.16 793.0067139 0.02 795.5728760 0.04 796.3198242 0.43 797.1481934 0.25 798.4285889 0.31 802.1643066 0.35 803.3865967 0.08 805.0013428 0.44 805.7331543 0.47 806.3355713 0.04 807.1754150 0.21 810.3422852 0.41 811.5749512 0.09 812.8535156 0.60 813.5614014 0.15 814.5699463 0.51 815.7357178 0.66 819.1138916 0.74 821.5123291 0.21 822.5383301 0.12 823.1898193 0.15 827.4034424 0.25 828.5844727 0.08 830.3878174 12.96 831.4475098 0.86 833.4986572 1.57 835.8747559 0.41 838.4106445 0.21 839.6552734 0.15 840.4616699 0.59 841.4545898 0.19 843.7601318 0.07 845.5091553 0.29 847.5058594 5.72 848.3715820 1.01 851.5952148 0.15 852.6385498 0.41 853.5784912 0.25 855.3886719 1.31 856.5573730 0.19 858.3679199 23.20 859.2640381 0.23 860.3273926 0.18 861.5454102 0.16 863.8120117 0.20 869.5328369 0.05 871.7457275 0.30 873.5373535 0.14 874.7327881 0.34 875.4284668 12.02 876.4002686 5.48 878.1220703 0.34 879.3294678 0.05 881.7382812 0.13 883.3475342 0.05 884.3333740 0.04 886.6018066 0.10 893.4945068 59.52 894.4025879 0.25 895.5108643 0.05 897.7796631 0.06 899.5898438 0.10 901.7131348 0.45 902.5931396 0.24 904.2912598 1.45 906.5405273 0.49 909.5382080 0.41 913.2684326 0.02 914.4312744 0.72 915.5648193 0.29 916.5655518 0.11 918.5997314 0.05 921.3354492 0.66 922.6934814 0.23 924.2448730 0.04 925.2950439 0.15 926.5555420 0.19 927.4949951 0.62 929.3125000 1.15 930.4681396 0.62 931.6838379 1.28 932.4708252 5.42 933.3078613 0.32 937.9829102 0.27 939.6000977 0.26 940.6201172 0.15 944.5031738 4.67 946.4178467 1.25 947.4520264 4.89 948.4919434 3.18 949.5207520 0.99 950.4880371 2.71 957.4797363 7.17 958.5512695 0.89 959.6331787 0.02 964.4267578 5.69 975.3459473 100.00 976.2260742 0.56 976.8415527 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 955.3819 Annotation Unknow Peak:m/z Relative Intensity 307.4454346 0.20 325.1707458 0.26 337.2005920 0.12 367.2524414 0.08 397.1087646 0.09 405.4197388 0.26 409.3231201 0.16 423.6011353 0.23 437.5798950 0.19 439.5879517 0.48 453.4278564 0.39 454.2625732 0.19 455.4685059 6.98 461.4862061 0.28 469.6082764 1.00 481.2807617 0.32 483.5621948 0.40 485.5117798 3.28 487.3828735 0.08 493.1881104 0.08 497.3922119 0.16 499.1871338 1.41 500.2223511 0.92 501.4557495 1.40 507.4260864 0.55 517.3792725 0.10 528.6523438 0.30 543.5582886 0.20 570.5199585 0.25 571.8399658 0.25 577.5710449 0.16 581.3324585 0.44 587.7676392 0.23 594.2376099 0.16 599.5196533 0.83 615.3700562 0.32 617.3494873 1.56 629.7600098 0.29 643.6835938 0.52 647.5521851 2.74 661.4425049 0.47 671.2586060 0.24 731.7527466 0.84 749.1685791 0.43 763.1325073 0.37 793.4946289 8.93 794.6647949 0.25 805.5255127 0.89 823.3953247 100.00 824.5602417 0.79 825.5399780 5.07 835.4657593 1.02 875.6707153 0.19 879.4032593 8.59 893.4266968 0.54 910.8848877 0.35 923.4425659 0.26 936.5582886 0.58 937.4135742 2.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 677.282 Annotation Hv-NCC-1 Peak:m/z Relative Intensity 292.3992615 0.04 311.4025269 0.04 313.0972900 0.08 323.4040527 0.02 324.3700562 0.01 325.5330200 0.10 329.1950073 0.03 334.3245850 0.02 355.3922119 0.11 356.3394165 0.08 376.3233643 0.04 383.9908447 0.04 390.3227539 0.04 400.6212769 0.05 402.2955933 2.38 403.3087769 0.70 404.4672852 0.06 405.3402100 0.09 414.8972168 0.02 418.3647461 0.03 431.0356445 0.03 444.3458252 1.88 445.3944092 0.65 446.5477905 0.40 447.6701050 0.21 448.3932495 0.70 449.4239502 0.46 450.4584351 0.02 455.6124268 0.02 460.3186646 0.06 462.4994507 0.08 465.2609863 0.01 473.2847900 0.03 475.3837891 0.05 476.3154907 0.22 476.9360962 0.10 488.2374878 2.23 489.4243164 0.88 490.3223267 0.02 492.2023926 0.11 495.4548950 0.01 497.2901611 0.03 499.5609131 0.36 500.3093262 0.20 501.4920044 0.02 502.2335205 0.08 503.1093140 0.04 507.4577026 0.13 508.4223633 0.92 509.4586182 0.32 515.4513550 0.06 520.2917480 11.14 521.3844604 4.39 522.6491089 0.07 524.4196777 0.01 536.7285767 0.02 539.8609009 0.01 541.3569336 0.98 542.3557129 0.23 543.0535278 0.01 544.0508423 0.14 545.5939331 0.06 558.5481567 0.08 559.5175781 0.69 560.5570679 0.26 565.4146729 0.02 573.4076538 0.37 574.3323975 0.37 583.4293823 0.71 585.3087158 3.88 586.3275757 1.99 586.9932251 0.06 589.2661743 0.21 598.3187866 0.04 599.7399292 0.15 600.4806519 0.08 601.4048462 0.42 602.4616699 0.50 603.4032593 0.03 604.2911377 0.01 605.4342651 0.06 610.7857056 0.02 614.9612427 0.04 615.6336670 0.15 617.3756104 100.00 618.3801880 31.83 619.0010376 0.05 627.3360596 4.81 628.3565674 2.38 629.2774048 0.01 631.3079834 0.06 632.8654785 0.07 633.6702881 0.06 634.3454590 0.11 641.2814331 0.03 643.2473755 0.03 645.3432007 13.08 646.4779663 5.12 649.4353638 0.08 650.0947876 0.03 659.2919312 66.83 660.3004761 24.93 661.0055542 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 426.88 Annotation Unknow Peak:m/z Relative Intensity 133.8646088 0.12 158.9691772 1.50 245.2049255 0.14 247.2245789 0.06 268.9360657 0.06 271.0867004 0.71 272.9992065 100.00 275.2315063 0.26 281.1165161 0.13 295.6807556 0.05 310.0363159 0.12 310.7891846 0.10 312.0290527 0.24 312.9573975 2.41 314.1312866 0.51 315.0009460 0.93 316.0753174 0.07 317.0883484 0.94 328.1379395 0.62 331.0293579 0.48 332.0441284 0.22 333.0243835 0.13 334.1551514 0.14 345.3842773 0.08 353.0579529 3.48 354.0635681 0.14 363.3611755 0.03 364.7681580 0.24 369.3542786 0.07 371.0949097 1.03 380.0235901 1.17 380.9839172 2.21 381.9327698 0.58 382.9913330 4.90 397.9226990 0.12 399.1536255 0.21 408.0368347 0.15 409.0011292 0.37 416.2205200 0.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 730.88 Annotation Unknow Peak:m/z Relative Intensity 229.1067352 0.08 230.1113586 0.27 271.0799561 0.08 272.9845581 10.39 273.9844055 3.33 275.0546875 5.12 346.9102173 0.06 386.9476318 13.74 387.9648438 7.62 388.9447021 6.76 389.5600586 0.10 391.1107788 0.08 427.9846802 0.16 472.8519287 0.06 500.8909302 44.35 501.9263916 49.62 502.9920654 49.57 503.9744263 0.20 542.9302368 0.16 571.8507080 0.28 576.0802612 0.20 585.0297852 0.19 595.7210693 0.23 597.0687866 0.06 608.5056763 0.04 610.0272827 0.51 610.9844971 0.58 612.5857544 0.17 614.8283691 30.51 615.8211670 96.37 616.8024292 100.00 617.7643433 0.37 619.1420288 0.44 625.9807129 0.19 627.9039917 0.22 629.1475830 0.37 645.9112549 0.10 647.2884521 0.19 655.0709839 0.21 655.8905640 3.77 656.9423218 4.42 658.0724487 0.09 673.1489868 0.15 674.3020630 0.56 674.9855957 1.16 675.8388062 0.63 683.7650757 1.48 684.8184204 0.48 685.7922363 0.15 688.8717651 0.05 702.0822144 0.09 702.8731079 0.08 797.7745972 0.11 842.8954468 1.41 843.8768311 0.70 844.8593140 1.83 845.7164917 1.01 956.9721069 2.66 957.9302368 4.06 958.7453613 4.10 959.7922974 1.71 969.6166992 0.07 1069.5281980 0.08 1070.6413570 0.89 1071.5917970 3.64 1072.6884770 7.50 1073.6614990 3.33 1169.2110600 0.09 1184.7723390 1.70 1185.5373540 4.14 1186.6094970 10.00 1187.5468750 4.76 1188.1708980 0.02 1254.4385990 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1321.5742 Annotation Taxchin A Peak:m/z Relative Intensity 419.3418579 0.60 425.2248230 0.30 437.1336060 0.04 455.6506958 0.32 481.1214905 0.08 499.4612427 0.36 502.7156982 0.07 517.4796143 1.94 559.4821777 0.45 567.5044556 0.16 641.5400391 0.18 693.4102173 0.07 705.1926880 0.24 713.2505493 0.05 763.4400635 0.30 788.7221069 0.06 807.1495361 0.06 807.7495728 0.24 824.6242676 0.24 825.3620605 0.21 833.6303711 0.05 851.7775879 0.05 860.5288696 0.07 867.5235596 0.11 953.5614014 0.15 971.5905762 2.75 983.8190918 0.21 990.5134277 0.11 995.8585205 0.09 1013.4892580 100.00 1014.2766110 0.52 1015.4125980 0.08 1037.7713620 0.04 1084.9632570 0.14 1094.5948490 0.22 1147.7260740 0.08 1153.6879880 0.10 1159.5001220 0.19 1171.8024900 0.08 1189.9573970 0.65 1190.6857910 1.54 1191.5948490 0.41 1200.6762700 0.14 1217.3831790 0.30 1245.6431880 0.15 1255.9436040 0.17 1259.2276610 0.19 1277.6612550 0.10 1288.3557130 0.06 1302.5144040 0.11 1303.6813960 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 719.29 Annotation Taxusabietane E Peak:m/z Relative Intensity 224.9112549 0.02 279.1864929 0.03 289.5043640 0.03 299.2678833 0.05 323.2430420 0.03 337.2210693 0.04 355.2127075 0.25 384.2225342 0.10 400.4891357 0.10 426.6265259 0.02 436.3367310 0.05 444.4271240 0.18 458.2933350 0.07 470.2133789 0.02 476.5620117 0.03 486.3693848 0.13 489.6896362 0.07 490.4591064 0.02 499.2402954 0.08 502.3840332 0.71 504.5123901 0.28 520.2132568 0.19 530.4124756 3.20 531.3768921 0.03 541.6229858 0.02 550.1980591 0.16 553.2073364 0.02 555.9637451 0.09 562.3189697 22.49 565.8818359 0.02 567.3369141 0.26 571.2150879 0.03 583.3425293 0.33 585.5130005 0.02 595.2426758 0.02 598.2871094 0.03 599.3394775 0.29 600.4620972 0.15 609.4829102 1.35 613.1671753 0.02 619.5863647 0.06 625.4283447 0.63 627.4465942 3.97 641.3605347 0.35 642.7764893 0.23 643.4607544 1.64 645.1874390 0.07 657.0623169 0.06 659.4165649 8.16 669.3373413 12.46 669.9687500 0.10 672.3968506 0.02 674.4854736 0.03 675.4806519 0.03 677.3923950 0.12 687.3596802 100.00 688.0176392 0.24 701.2869263 11.43 701.9365234 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 440.1837 Annotation Adenosyl cobinamide phosphate Peak:m/z Relative Intensity 144.9938812 0.18 146.9439240 3.73 165.0267639 5.37 165.9543457 0.08 217.0991364 0.03 309.0392456 0.60 309.9885864 0.09 315.5075073 0.02 316.3735962 0.11 322.2951965 0.29 325.9804688 0.05 327.6389160 0.02 331.5614929 100.00 332.5528564 2.20 333.3567200 0.73 334.1036987 0.23 335.1317444 0.19 336.1500244 0.05 337.4096069 0.26 340.3474731 0.06 341.0769348 0.04 342.3379822 0.03 343.3837280 0.16 344.3021240 0.33 351.2930908 0.05 359.1605225 0.03 362.8045349 0.06 365.0438843 0.23 367.3774109 0.08 368.8948364 0.02 374.7428284 0.56 377.3862000 0.02 379.4729614 0.08 385.5899963 0.04 388.7960815 1.14 389.4660645 0.06 391.4078064 0.03 393.3833618 0.09 395.4440613 0.03 396.6206360 0.05 402.6848450 0.34 410.0782166 0.08 411.7688599 0.38 422.2402649 0.46 423.0494385 0.21 424.3105164 0.48 425.4333496 0.97 430.6516113 0.25 440.3296204 0.09 447.3725586 0.41 455.3332825 0.10 460.2943420 0.20 461.2615356 0.72 472.4925232 0.11 484.1801453 0.05 485.6062622 0.05 495.9137573 1.02 496.8239136 88.15 497.4246521 1.23 498.0248718 0.13 509.6610413 0.07 520.9932861 0.02 561.4756470 0.03 580.6987915 0.11 613.5906982 0.06 636.5064697 0.04 684.5638428 0.12 713.1726685 0.02 725.7236328 0.07 727.5073853 0.08 776.8854370 0.03 804.4898071 0.04 819.0457153 0.03 822.3798828 0.09 833.3149414 0.09 847.5831909 0.05 865.8685913 0.04 962.5380249 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 312.15 Annotation Leonurine Peak:m/z Relative Intensity 80.9983597 0.03 94.8225174 0.08 97.0720215 0.03 97.9702530 0.04 102.2918930 0.01 108.8615112 0.07 111.2299423 0.04 112.8776932 0.05 117.0270615 0.02 120.0732346 0.05 122.9188385 0.06 125.2733307 0.19 126.1345596 0.02 127.9925842 0.02 130.8470917 0.04 131.9194183 0.07 134.1381836 0.02 136.1488342 0.02 140.1913300 0.03 150.0527344 0.09 154.0360107 0.13 155.1486206 0.03 159.2083435 0.11 161.0792847 0.07 161.7815247 0.04 166.8660889 0.02 168.3385010 0.17 170.8824158 0.09 172.0205841 0.07 177.0892181 0.03 178.0795593 0.11 178.9769440 0.04 183.1544495 0.07 184.1902161 0.10 186.3609619 0.23 187.1141357 0.03 187.9475403 0.05 189.9304352 0.20 190.9858093 0.15 192.1628723 0.04 195.0772400 0.09 197.0318298 18.25 198.3776245 0.21 205.0341187 0.02 206.3290100 0.17 208.1660461 0.79 209.0670166 0.22 213.1668701 100.00 214.7989502 0.02 218.9821472 0.03 221.1396179 0.05 221.9526367 0.07 223.6334229 0.10 226.2167053 0.11 228.2948303 0.08 230.8325806 0.03 235.1524963 0.08 239.1066895 0.19 241.3325500 0.05 248.3269958 0.08 249.4206238 0.07 251.1348267 0.02 252.0175476 0.03 253.0368042 0.20 254.0588684 0.19 255.1046448 0.13 258.1273804 0.10 263.1639404 0.12 264.1876221 0.03 265.5950317 0.06 267.1194458 1.29 268.2901001 0.24 271.0135193 0.36 274.4332886 0.30 276.3392029 0.18 277.3284912 0.10 278.2447510 0.17 280.1031494 0.26 281.1040039 0.18 281.8950500 0.10 283.4276733 0.44 284.3049622 0.41 288.2476196 0.14 291.1115723 0.16 293.1621094 0.94 294.3159790 4.30 295.1090393 0.23 296.2408447 0.34 297.6185913 0.29 299.0609741 0.33 300.0190430 0.03 301.2297058 0.15 302.7719116 0.28 303.7243652 0.04 305.6256104 0.27 307.4731445 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1277.5105 Annotation Unknow Peak:m/z Relative Intensity 367.1965027 0.03 439.5037842 0.83 483.8728638 0.03 501.4746704 0.22 502.4779053 0.06 567.5471191 0.04 569.7104492 0.11 585.7066650 0.21 597.2460938 0.02 617.3186035 0.02 627.4221191 0.15 647.0184326 0.26 647.8703613 0.10 656.3862915 0.03 677.4005127 0.64 678.5247803 0.09 687.3005981 0.04 717.6086426 0.11 718.5603638 0.07 722.6558838 0.06 735.6405640 0.10 751.5194092 0.10 759.2640991 0.03 763.4091187 0.02 778.3001709 0.11 793.5150146 0.81 794.5167236 0.04 833.5431519 0.03 837.5394287 0.59 879.5196533 0.36 895.7510986 0.07 923.6608887 0.57 926.7489014 0.04 931.4848633 0.05 941.5885010 17.31 942.5469971 1.15 943.1748047 0.01 969.7491455 0.27 970.5372314 0.06 979.7073975 0.08 983.4874268 0.15 993.2561035 0.05 995.4495850 0.09 1001.2872310 0.03 1003.6879880 0.03 1008.1784670 0.21 1009.5412600 0.05 1025.6661380 0.14 1035.3668210 0.04 1037.5816650 0.34 1039.3580320 0.05 1055.5972900 5.15 1056.6838380 0.88 1065.5148930 0.06 1071.4356690 0.26 1081.4516600 0.05 1082.4162600 0.09 1095.4056400 0.61 1096.5039060 0.03 1097.8632810 0.20 1099.5291750 4.46 1100.5881350 0.71 1101.5606690 0.28 1102.3671880 0.08 1113.5678710 5.67 1114.6823730 0.59 1117.5393070 58.75 1118.5930180 7.99 1129.6784670 0.30 1131.3165280 0.07 1139.4584960 0.69 1140.8320310 0.13 1143.5706790 0.14 1145.4711910 0.41 1147.7392580 0.28 1155.9870610 0.04 1157.5275880 21.80 1158.5753170 3.65 1171.4257810 0.08 1173.5887450 5.35 1174.8858640 1.84 1175.5095210 44.76 1176.6545410 7.31 1183.5738530 0.03 1187.4948730 0.24 1189.5244140 0.17 1191.6027830 0.05 1201.5286870 0.44 1202.4078370 0.05 1203.7573240 0.26 1205.6207280 1.05 1206.3530270 0.24 1215.4155270 3.73 1216.6893310 0.49 1217.9028320 2.67 1218.5352780 5.15 1219.5185550 0.46 1220.2165530 0.02 1228.4224850 0.08 1231.3288570 0.07 1233.5118410 100.00 1234.4774170 15.65 1235.0937500 0.12 1241.3044430 0.10 1249.6262210 0.15 1252.9443360 0.29 1259.3579100 10.58 1260.2868650 1.81 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 359.08 Annotation Acerosin Peak:m/z Relative Intensity 193.8775940 0.01 206.1718445 0.01 209.1275330 0.04 219.1927490 0.02 235.6737976 0.03 255.1530151 0.02 256.2751465 0.04 269.4163818 0.06 272.3862610 0.01 285.1422119 0.02 287.2124023 0.01 291.3588562 0.02 298.8757019 0.03 300.1200562 0.05 301.0982971 0.02 313.1541748 0.01 314.4928284 0.05 315.1560059 0.02 316.1748352 0.07 323.3713379 0.06 327.0748901 0.02 327.8395081 0.02 329.1940918 0.24 331.1458740 0.01 340.8552856 0.02 341.8283386 0.07 344.1344299 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 925.4824 Annotation Kudinoside F Peak:m/z Relative Intensity 289.2972717 0.09 307.1556396 0.05 318.9996948 0.04 389.3155518 0.04 409.4249573 0.14 439.5983887 0.08 453.6549072 0.22 455.4465942 1.40 469.6508179 0.03 471.5939941 0.01 472.5620117 0.03 479.4367065 0.06 483.4863281 0.89 493.6564331 0.03 497.4628296 0.09 501.4080811 0.04 507.6326294 0.01 509.2039795 0.04 511.3335571 0.07 513.5916748 0.03 523.4155884 1.08 524.1126099 0.02 533.5977783 0.03 535.5715942 0.23 537.5299072 1.10 543.3154907 0.05 549.6206055 0.08 551.5675659 1.63 563.0074463 0.05 569.5037842 1.50 571.5629883 1.09 575.0885010 0.01 577.3568115 0.02 583.2438965 0.04 583.8895264 0.02 585.5737915 0.10 587.2847290 0.15 587.9381104 0.01 589.6868286 0.05 593.6005249 0.03 595.4705200 1.13 611.8256226 0.05 613.5327759 1.32 631.5712891 2.92 632.4557495 0.02 633.6005249 0.03 635.7871704 0.02 637.7088623 0.02 643.3427124 0.02 647.5114136 0.01 660.1666870 0.02 673.7343140 0.31 675.7943115 0.01 681.7340088 0.02 683.8940430 0.01 701.5046997 2.33 702.1885986 0.01 715.8125610 0.02 717.4400024 0.04 719.6390381 3.56 733.5271606 0.02 745.4121704 0.33 749.4850464 0.01 753.9442139 0.02 757.3696289 0.23 761.5856934 0.01 763.4844971 100.00 764.1769409 0.21 775.5310669 0.09 791.5889282 0.08 793.5545044 4.28 794.5374146 0.64 795.4604492 0.26 805.5916138 3.29 809.5548706 0.53 821.5300903 0.08 829.6436157 0.13 835.5961914 0.11 847.4837036 0.07 849.4250488 0.07 853.4193726 0.05 864.6152954 0.03 865.5435791 0.29 867.6999512 0.03 881.3031616 0.07 882.0296021 0.02 889.4918823 0.08 893.4934692 0.05 907.5275879 0.08 924.8449707 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 597.1827 Annotation Geniposide pentaacetate Peak:m/z Relative Intensity 205.2088165 0.07 263.3609924 0.11 267.2346191 0.24 290.9871216 0.17 299.3925171 0.07 308.5429382 0.11 315.1586914 0.67 325.1301880 0.06 327.0991211 0.25 334.9339600 0.06 345.2207031 0.18 346.2429199 0.40 357.2506104 93.96 363.8182983 0.17 367.4800415 0.14 369.3185425 1.06 373.3288574 0.89 374.3989258 0.17 381.2886963 0.27 387.1886597 79.74 387.8348999 0.09 399.2938843 1.75 403.0289917 0.10 405.1756592 0.07 410.1419067 0.10 413.2250977 0.31 415.3397217 0.09 417.2009888 29.05 420.5288086 0.04 429.2714233 1.98 431.0939331 0.05 435.2975464 1.93 438.3068848 0.07 441.2924194 1.18 447.3395386 3.57 459.2757568 21.77 465.3159790 1.91 466.3203735 0.10 470.9610596 1.74 471.6774902 0.02 472.6051025 0.08 473.5319824 0.09 474.9552612 0.25 477.1765747 100.00 477.8448486 0.12 486.5559082 0.17 489.3046265 17.97 494.3103638 0.06 507.2874146 14.54 508.3602905 0.53 509.6258545 0.10 519.2902222 0.56 531.2783813 0.37 536.4904175 0.08 537.2738647 0.31 543.0737915 0.12 551.6563721 0.12 552.6290283 0.52 553.5177612 0.23 561.3696899 2.50 564.3530273 0.12 567.4450073 0.35 577.6146851 0.23 579.3298340 20.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 679.1304 Annotation Unknow Peak:m/z Relative Intensity 193.2006531 0.03 199.1452484 0.07 200.2668762 0.03 201.2159119 0.27 203.1424866 1.39 204.1638336 0.02 213.3534241 0.07 215.2075958 0.09 217.0825500 0.07 229.0902710 5.08 229.9645844 0.21 231.1568298 0.28 232.9835510 0.08 244.2416229 0.06 245.3039856 0.09 257.0875244 0.35 259.0911560 0.40 261.0720215 0.85 271.2035828 0.03 275.2010498 0.07 277.2021179 0.14 283.4080200 0.12 285.1789551 0.08 286.1698914 0.04 288.1141968 0.17 303.1683960 0.48 313.2409058 0.05 321.0836182 100.00 322.2263794 5.52 327.1191406 0.91 328.2491455 0.08 339.3768311 0.23 340.3004150 0.06 342.1831970 2.56 343.1903687 1.07 355.2609863 0.28 357.2083740 16.99 358.2775879 1.26 365.3146973 0.07 366.2041626 0.09 367.2810059 0.44 368.2246094 0.03 369.2247925 0.07 370.0051270 0.42 371.3288574 0.05 382.9982300 0.40 383.8038940 0.37 385.1409912 0.15 387.3532104 0.11 393.2764282 0.06 399.2321777 1.59 400.1265259 0.28 408.1773071 0.19 409.9592896 0.06 422.4635010 0.07 423.4218750 0.03 425.3161621 0.21 427.3644409 0.02 453.2278442 0.74 454.0980225 0.03 471.0970459 0.23 471.7282715 0.10 485.2985229 0.19 499.6128540 0.06 501.1008911 0.23 505.4215698 0.05 515.1216431 87.20 516.1379395 8.50 516.7560425 0.05 519.2311401 0.05 532.9727173 0.29 538.4653320 0.08 557.3627319 0.04 564.4725342 0.03 577.5001221 0.06 588.4692383 0.28 591.3611450 0.06 603.5582275 0.09 607.5239868 0.03 630.3886108 0.02 633.4596558 0.19 635.3665161 0.23 637.6046753 0.15 643.2849731 0.07 644.2227173 0.04 647.2959595 0.97 648.3544312 0.48 650.2219238 0.02 657.8486938 0.28 661.1444092 0.29 661.7637329 0.12 662.4121094 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 307.08 Annotation Clobenpropit Peak:m/z Relative Intensity 97.3568420 0.03 99.0660706 0.27 101.8684616 0.05 115.1683578 0.03 115.8961334 0.22 116.8989487 0.06 125.1068192 0.12 126.0581207 0.08 126.9530945 0.12 127.9647217 8.20 129.1065369 1.38 130.0046234 0.11 131.0564575 0.05 133.1673431 0.04 143.0768433 9.62 144.1400452 2.26 145.0493469 0.16 146.1050415 0.75 147.0610046 0.16 153.1614380 0.24 154.1769104 0.09 160.0820312 9.42 161.0235443 2.27 166.3523712 0.06 167.0935974 1.08 168.2337341 0.05 169.0321655 0.10 170.0442505 0.16 171.1044312 1.27 172.1064606 0.74 177.0921783 9.91 178.1418915 1.55 179.0888519 7.98 180.0943451 2.33 183.2137146 0.03 184.2206573 0.10 185.0266571 0.60 186.0268860 0.26 194.1681366 0.12 197.0753937 1.29 198.1204529 0.56 200.2055664 0.14 202.9080200 0.09 204.1827393 0.06 207.1433411 0.06 210.1478577 4.39 211.1559448 1.56 213.1694336 1.81 214.1697998 0.32 223.0641479 0.11 228.1905823 0.53 229.1232910 0.28 231.0519409 1.38 232.1810303 0.17 236.0109558 0.24 237.4720764 0.04 242.2304688 1.32 243.1566162 0.37 244.1033630 0.34 247.1436462 0.08 249.1638184 0.04 254.1062012 79.77 255.1954041 35.89 263.1734314 0.34 272.1518555 100.00 273.1336365 40.39 288.0797729 76.85 289.0981445 27.63 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1061.6459 Annotation Unknow Peak:m/z Relative Intensity 400.2456055 0.03 514.5467529 0.03 782.5919189 0.09 795.0053711 0.10 828.4321289 0.04 840.3859863 0.06 881.3891602 0.04 914.7315674 0.06 980.2448730 0.27 996.4311523 0.02 1026.3094480 4.05 1027.9484860 0.10 1029.8295900 0.10 1031.6114500 0.05 1038.0327150 4.05 1038.8210450 0.04 1039.7023930 0.12 1040.3842770 0.10 1041.0816650 0.03 1042.1889650 0.51 1042.8439940 9.01 1044.1044920 0.56 1044.7999270 0.08 1046.4721680 0.04 1050.3452150 0.03 1056.2250980 0.04 1075.4770510 0.02 1082.2885740 0.16 1100.2075200 0.14 1172.6202390 0.20 1180.3179930 0.05 1194.4802250 0.11 1215.1491700 0.11 1219.8183590 2.18 1221.4761960 0.07 1222.9807130 0.02 1225.9450680 0.34 1227.5126950 0.44 1228.1376950 0.27 1229.9350590 0.16 1231.3400880 22.67 1232.2788090 0.34 1233.1176760 0.32 1234.9250490 0.07 1237.6156010 0.04 1241.5417480 0.04 1242.5938720 0.24 1245.0646970 0.15 1245.7253420 2.67 1246.5263670 0.04 1247.5520020 0.55 1248.5964360 0.16 1251.1738280 100.00 1252.3104250 2.60 1253.7163090 0.53 1255.0671390 0.26 1256.5517580 0.31 1258.7612300 0.13 1259.7451170 0.10 1260.6204830 0.30 1262.0385740 0.02 1265.3320310 0.06 1271.5338130 0.03 1293.8283690 0.13 1301.3327640 0.03 1325.9478760 0.05 1334.5318600 0.29 1341.9166260 0.08 1346.0126950 0.09 1358.9143070 0.05 1377.6270750 0.08 1388.1530760 0.17 1405.0767820 0.02 1410.1114500 0.03 1412.4985350 0.12 1496.0106200 0.14 1501.8126220 0.11 1520.5123290 0.03 1530.8619380 0.46 1536.3616940 0.07 1538.8607180 0.30 1605.3546140 0.16 1612.9990230 0.11 1649.6514890 0.03 1650.6170650 0.05 1738.8787840 0.04 1743.3160400 0.08 1775.1971440 0.01 1814.5589600 0.06 1822.5802000 0.08 1872.7110600 0.02 1897.4973140 0.07 1914.4543460 0.07 1921.4818120 0.05 1953.9464110 0.07 1962.3751220 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 429.1608 Annotation 2,3-Butanediol apiosylglucoside Peak:m/z Relative Intensity 163.3258514 0.03 173.1188049 0.08 174.3787842 0.07 223.0549622 0.09 256.9219971 0.03 263.0783997 0.01 267.1873169 0.17 285.2815857 0.02 288.6740112 0.07 289.4464417 0.06 341.6028137 0.07 345.4541016 0.12 353.1497192 0.21 357.5258789 0.08 383.2201843 100.00 384.1047058 0.06 385.2230530 0.25 393.3127136 0.03 410.3907776 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 441.161 Annotation 1-(3-Methylbutanoyl)-6-apiosylglucose Peak:m/z Relative Intensity 149.1428528 0.07 170.9126892 0.06 179.0342712 0.12 182.1680298 0.10 196.0543365 0.05 221.1971741 0.04 233.0401611 0.03 243.2657776 0.06 257.1907654 0.06 259.1061401 0.08 260.7246704 0.04 275.1465759 0.10 307.7291260 0.03 311.2642212 0.21 321.0955811 0.03 322.3750000 0.09 323.5082397 0.05 325.1207275 0.05 347.5886841 0.03 351.3879089 0.04 354.6029053 0.08 357.2915649 0.05 365.2309875 0.09 367.9959717 0.14 369.2091675 0.06 385.2755432 0.10 387.2398376 0.53 395.2380981 100.00 398.1682129 0.10 405.2084961 0.42 415.2590027 0.06 422.7743530 0.13 423.4356995 0.05 432.1906433 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 985.46 Annotation Tuboanoside A Peak:m/z Relative Intensity 289.4458618 0.29 304.9092102 0.11 308.7222290 0.26 310.1314697 0.27 315.5120850 0.15 323.1888428 0.25 345.0104675 0.12 365.6043396 0.39 371.6614685 0.17 377.7968445 0.08 391.4435120 0.11 395.4262085 0.17 411.2992554 0.10 419.7015991 0.16 421.2416077 0.39 423.4042664 0.11 424.4227295 0.94 425.1363525 0.10 439.1860657 1.19 465.7691956 0.48 467.5002747 0.73 481.2636108 9.78 485.4697571 100.00 499.3051758 50.28 501.4347534 0.11 599.7003174 0.10 610.9856567 0.20 614.5712891 0.21 640.2990723 0.10 643.6042480 0.10 647.4700317 0.64 648.3447266 1.88 649.6672363 0.29 658.2593994 0.47 659.6134033 0.18 661.4852295 6.08 662.0950317 0.07 663.4763184 0.08 687.1455078 0.06 721.3536987 0.22 778.3262939 0.37 779.5522461 0.27 783.2503662 0.10 802.3607178 0.10 806.6791992 0.22 807.5385742 0.53 809.5301514 1.09 820.4755859 1.26 821.5086670 1.99 822.3289795 0.29 823.3010254 3.74 824.4534912 15.37 825.5250244 7.22 836.4838867 0.12 837.1401367 0.25 853.9024658 0.52 864.5163574 4.73 865.5083008 2.18 867.4466553 0.12 879.4183350 0.24 880.4025879 0.34 881.8457031 5.61 882.4793701 15.58 883.5435791 11.45 895.5347900 0.35 897.4382324 0.47 907.5566406 0.16 912.4886475 0.21 922.3878174 0.83 924.3077393 1.71 925.4429932 3.82 926.4677734 2.60 935.0125732 0.12 940.4366455 34.82 941.4460449 21.77 942.1009521 0.23 952.3273926 0.22 966.2321777 1.58 967.3754883 2.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 679.2949 Annotation Hv-NCC-1 Peak:m/z Relative Intensity 204.1564331 0.70 218.2087250 0.15 219.9999695 0.05 226.9004517 0.12 236.2454224 0.08 246.0286560 0.23 250.0866699 0.08 258.8835449 0.08 262.1696777 0.32 273.2205811 0.12 276.1214905 0.03 287.2227783 0.45 293.0287781 0.13 296.9425354 0.15 299.2786255 0.99 306.4111938 0.05 309.4922180 0.25 313.4685059 0.03 315.2952881 0.91 323.1883545 0.57 324.1694336 0.05 325.3356934 0.13 329.2569580 0.12 337.0565186 0.80 339.3746338 0.15 341.0391235 0.11 343.3477783 0.31 344.9906006 0.04 350.9658203 0.11 355.5534668 0.16 357.1892700 1.72 359.0548706 0.15 365.2355347 0.09 369.4012451 0.53 371.2572632 3.63 373.1301880 1.24 375.1578369 0.09 383.0925903 0.55 395.6826172 0.06 401.2642822 3.81 410.8155518 0.05 411.4841309 0.08 412.1999512 0.13 413.3679199 0.04 415.3339844 0.36 422.2257080 0.15 429.6840210 0.05 430.4418335 0.12 433.0888062 0.53 438.2857056 0.20 439.2944336 0.12 441.3272705 0.06 446.3843994 0.25 450.2299805 0.62 459.3655396 0.15 462.2606812 0.09 464.2614746 11.84 466.1977539 0.30 472.5166626 0.35 476.3400269 0.89 478.2081909 0.46 480.3281860 0.19 482.3369141 0.96 483.5102539 0.03 490.2692261 11.60 491.1300049 0.06 492.5036011 0.06 494.2655640 0.59 496.1390381 0.23 503.1132812 0.15 504.6376953 0.08 508.1477661 7.72 510.3733521 0.33 514.2011108 1.82 520.5415649 0.12 522.2926636 91.54 523.3726196 2.36 524.4660645 1.01 526.1939697 5.04 536.1633301 0.05 539.2662964 0.17 540.3316650 1.08 542.0622559 0.06 543.6211548 0.08 554.1257935 0.16 567.3745728 0.11 583.3491821 0.25 584.9473267 0.61 585.7684326 0.12 587.3078003 2.19 601.3392944 0.05 603.2748413 3.71 611.3696899 6.85 615.3307495 0.14 619.3347778 5.05 625.4508667 0.02 629.2520142 12.36 630.0148926 0.07 630.6907349 0.09 633.3874512 0.11 635.3580933 0.06 643.2544556 65.74 643.9265747 0.21 647.3047485 100.00 647.9349976 0.32 661.1956177 13.62 662.2868652 2.61 669.6885986 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 625.3594 Annotation Ponasteroside A Peak:m/z Relative Intensity 179.0575104 1.12 231.2282867 0.20 233.3007507 0.28 249.1069946 0.27 257.0551453 1.13 259.1321716 0.24 263.3190308 0.10 265.2893066 0.23 267.2481689 0.11 269.3482666 0.73 285.1042175 1.01 301.2081909 0.50 303.3948975 7.35 305.2404175 0.28 307.4060059 0.55 311.2711792 4.70 315.1743774 1.39 320.0596619 0.31 321.1521301 26.71 329.2174377 0.19 330.5816040 0.64 331.3645630 0.15 333.2237549 2.06 337.1486206 0.30 339.5474243 0.74 345.1799316 0.53 357.4614868 0.25 369.3003540 0.14 375.3211670 5.89 376.4484253 1.09 385.2163696 0.18 391.5078735 0.79 415.0875854 0.30 419.2497559 1.25 421.1789551 0.43 426.6598511 0.34 427.4855347 1.55 429.4357910 0.26 445.3851929 19.09 447.5155640 2.04 448.3846436 0.57 449.1750488 0.15 453.4677734 0.29 460.1718140 0.61 461.6398926 1.17 463.4462891 100.00 467.7768555 0.52 492.4123535 1.48 503.6716919 0.27 504.3557739 0.12 508.0999146 0.37 516.4531860 0.37 521.3794556 0.16 533.2024536 0.20 535.3381958 0.13 537.7008667 1.61 542.2491455 0.08 545.2514038 0.60 546.4231567 0.12 549.3762207 0.57 563.3448486 0.73 565.6166992 0.29 571.3565063 1.03 576.2711182 0.30 576.9666748 0.08 577.5773315 0.16 578.4025269 0.97 579.3175659 1.62 581.1021118 2.66 589.2642822 1.24 593.7189331 0.24 597.2237549 0.33 602.8616943 0.65 603.4625244 0.34 607.3942871 29.35 609.5888672 0.38 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 560.68 Annotation Unknow Peak:m/z Relative Intensity 219.1037140 0.04 233.0495911 0.02 235.0195007 0.03 240.7061615 0.05 292.9586182 0.03 305.0750122 0.03 308.9283447 0.09 310.0996094 0.04 377.1153564 0.22 392.9146729 1.64 419.2498779 0.07 424.0615234 0.03 450.0695801 0.05 470.1058350 0.14 471.3640747 0.03 473.5407715 0.06 476.7168579 100.00 477.3417969 0.25 482.3760376 0.01 486.6219482 0.09 488.1423340 0.06 541.7986450 0.04 560.4254761 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 393.177 Annotation cis-3-Hexenyl b-primeveroside Peak:m/z Relative Intensity 113.0887909 10.35 115.1430206 0.73 119.0136795 2.91 125.1683960 1.89 130.8782959 13.49 142.8536835 8.89 145.1121826 0.28 148.9671326 100.00 155.0218048 0.68 160.9349365 23.02 179.0038147 7.88 184.7016602 0.41 191.0594330 54.88 220.8478394 0.98 231.1009521 0.19 232.9306946 32.89 260.8894348 4.23 271.2667236 0.97 281.2590942 0.43 291.1007690 0.51 293.0104675 6.10 305.4895020 0.47 348.1739502 0.30 349.6740723 0.47 374.1969910 4.22 375.3889465 0.30 377.2221375 1.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 359.1246 Annotation Antibiotic SF 2140 Peak:m/z Relative Intensity 129.9684143 0.04 150.5166473 0.14 151.1412354 0.07 152.2203217 0.03 155.2299500 0.03 177.1797638 0.08 178.7963257 0.05 181.0473328 0.11 195.7107239 0.04 197.0463562 0.41 225.1793823 0.04 237.1542664 0.12 241.3563843 0.14 243.0376282 0.74 244.3003845 1.12 254.9862671 0.15 257.0226746 0.11 263.1066895 0.04 268.2988281 0.22 269.1495972 0.14 271.5060730 0.06 275.0779724 0.05 280.1795959 0.66 285.0670776 0.12 296.0751038 0.23 297.2864685 0.80 298.1761475 2.93 303.2825012 0.02 307.4495544 0.02 313.2225952 3.28 314.4115601 0.53 315.3151550 0.61 321.1044617 0.03 324.2349243 1.69 331.2092896 0.07 341.1853027 100.00 342.1998291 3.53 344.0616760 1.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 971.4661 Annotation Unknow Peak:m/z Relative Intensity 305.1303101 0.33 306.9222107 0.45 337.1256104 0.81 389.0886230 0.29 406.2175293 0.31 423.4004211 1.19 439.1675415 0.58 469.4495239 3.17 470.3843384 9.24 471.5050659 46.30 472.5917358 0.36 481.1571655 9.05 482.2993774 0.33 499.2728271 42.31 500.2114868 6.89 501.4456787 0.53 552.6295776 0.90 583.2050781 0.60 625.3010864 1.07 663.3246460 3.71 791.5205078 0.31 792.1339111 1.23 793.6425171 0.99 808.6024780 4.80 809.4832153 1.75 810.5680542 2.50 811.6441040 1.01 839.3646851 100.00 840.0072632 0.63 851.4878540 1.99 868.3589478 1.30 869.6250610 0.51 895.4246216 8.01 926.7805786 2.45 927.5635376 1.04 953.3669434 3.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 617.8239 Annotation Unknow Peak:m/z Relative Intensity 182.9017792 0.12 184.0385437 0.43 185.0500183 0.22 187.1485138 0.61 188.1563263 0.17 194.7550354 0.77 196.0938568 0.33 197.3273621 0.28 201.1803741 0.23 210.9539337 0.16 212.0602722 2.00 213.2153625 0.46 216.1097107 1.77 225.8992310 0.37 229.1338348 5.88 230.2683563 0.63 237.1397552 1.20 242.2430115 0.42 244.2130127 0.98 245.0947876 0.36 250.0925140 0.14 251.2241669 0.38 254.1237335 0.09 254.9499817 0.38 261.0707703 0.16 262.1921082 0.49 269.2945557 1.12 270.3714600 0.27 275.2470703 0.15 279.2233276 0.51 280.1719360 0.56 282.5370483 0.45 283.1947632 0.61 290.3107300 0.36 291.2905884 0.38 295.2892456 0.58 296.4458008 0.41 297.1464233 0.65 298.6079712 0.91 299.8771057 0.41 304.1893005 0.29 307.1209717 1.35 308.1834412 1.97 310.4057617 0.68 313.2489624 2.57 314.3565674 0.10 314.9669189 0.43 322.3919067 0.35 324.5508118 3.03 325.2708130 2.55 326.6488647 0.48 327.8229065 0.49 330.2409668 0.75 331.2755127 0.74 333.1751099 0.37 336.1228638 0.19 337.2102051 0.15 339.2648315 4.41 342.2036133 19.53 343.1168823 2.01 344.3457642 0.17 348.4181519 34.49 349.4220581 2.36 351.3012695 0.34 352.2988892 0.66 353.3717041 0.14 356.1771851 0.58 357.2504272 0.20 358.1674194 0.06 360.1829834 0.32 366.5578613 0.16 367.4560547 0.53 369.7891846 0.32 374.0811157 0.36 374.7589722 0.16 380.1270752 0.88 381.7606812 0.50 383.2653809 3.16 384.2901001 1.08 385.2224121 0.52 386.5147095 0.12 390.9957275 0.19 394.2466431 0.17 399.3166504 0.49 406.5415039 0.35 408.2169189 0.49 410.8194580 1.36 411.6705322 2.58 415.0806274 0.28 418.4296875 0.42 419.4445801 0.17 420.2402954 0.07 421.0247192 0.19 425.2543335 0.54 426.3251953 0.47 428.4720459 0.37 432.8523560 1.19 434.1640625 0.24 434.9735107 0.22 436.4346924 0.24 438.3956299 0.36 443.4905396 0.23 445.2692871 0.09 449.5915527 0.15 452.3206787 0.85 453.3021851 2.60 455.3721313 0.08 456.4134521 0.40 458.9867554 0.20 461.2609863 0.76 463.9726562 0.32 467.4151611 0.86 470.2097168 2.23 471.4560547 0.18 472.0565796 0.17 477.1248169 0.33 479.5050049 0.18 485.8522949 0.26 487.1713257 0.23 487.9735718 0.44 491.9675293 0.31 493.8461914 2.24 496.7437744 0.13 498.4403687 0.20 499.4243164 0.25 500.9730835 2.18 505.0726929 3.33 510.1130981 0.20 511.3700562 1.55 512.6022339 0.84 513.4199219 5.94 514.2513428 2.38 516.6433716 0.09 519.3712769 0.47 522.6325073 1.95 523.2807617 0.66 524.3692017 1.03 530.3270874 0.19 531.2726440 0.70 532.3791504 0.59 533.7727051 0.34 535.6515503 6.62 536.4838257 1.53 537.7114868 0.44 540.4853516 15.46 541.5879517 2.63 542.5764771 0.67 543.3391724 0.13 544.2026978 0.19 545.6403198 0.28 550.3312988 0.88 551.4805908 1.12 552.4241943 0.65 553.5331421 0.26 554.6221924 0.17 556.5335083 0.43 558.2059937 3.44 559.4460449 0.49 560.3878784 1.31 561.8750610 1.30 563.5068970 0.73 567.6927490 0.45 571.5229492 0.78 575.8008423 0.53 577.1343384 3.13 577.9011230 4.83 579.2787476 1.78 580.2172852 0.34 580.9935913 1.08 582.9360352 7.54 583.8629761 3.83 586.2305298 7.90 587.1315308 0.63 587.7340698 0.21 588.7038574 0.37 589.7534790 10.76 590.6818237 0.06 592.2418213 4.06 592.8623047 0.47 595.0283813 1.09 596.4238892 0.59 598.5348511 5.03 599.4280396 1.69 600.3756714 2.43 601.3389282 0.30 602.8664551 1.57 603.5219727 0.77 604.5641479 0.99 605.3416138 3.48 606.1990356 0.89 606.9013062 1.28 608.4988403 0.51 609.5351562 15.37 610.6384277 0.89 614.2523193 0.26 617.6316528 0.42 621.4597168 0.42 622.2120972 0.57 623.9267578 0.80 625.0278931 1.32 630.6759033 0.56 635.0426025 4.52 635.7568970 0.17 639.4423218 1.46 644.4194336 1.05 645.4669800 1.61 647.5238647 0.91 649.5874634 0.35 650.4512939 0.60 652.8775024 6.56 653.5670166 2.71 658.3161621 0.84 658.9659424 0.70 660.4459839 0.47 661.3361816 8.45 662.0130615 2.76 664.3842773 0.57 665.0098267 1.87 667.4447632 100.00 668.2290649 15.95 669.3256226 0.45 670.4361572 0.34 671.4197388 0.23 677.3341064 1.93 678.5606689 1.06 679.5694580 0.55 681.3739624 1.77 684.7869263 0.45 686.5807495 0.68 693.2898560 0.86 695.4652710 41.69 696.5167236 14.99 697.5741577 2.87 698.3508911 1.01 699.3738403 0.66 702.1813354 0.61 702.9021606 0.61 704.2808228 5.58 705.5224609 0.34 707.3627319 0.11 708.4906006 0.60 709.6397095 2.40 710.2890015 47.91 711.3026733 4.14 712.7495728 0.51 714.0203247 0.24 714.7247314 0.49 715.7188110 0.17 717.2584839 4.86 718.1221313 0.16 719.1008301 0.68 722.6929932 11.13 723.6931763 1.97 725.0813599 0.31 731.0101929 1.55 732.6642456 0.34 734.8777466 0.47 735.7512817 0.33 738.9867554 1.36 742.1457520 0.19 743.5892944 0.49 744.2310181 0.45 747.9157104 4.83 748.6759033 0.33 750.2914429 1.31 751.5373535 0.58 756.1105347 0.27 757.5026245 1.76 758.4407349 2.30 760.1599121 1.33 763.5660400 1.64 766.2294312 14.79 767.2030640 1.40 769.3229980 0.38 770.2259521 2.10 772.1832275 4.25 773.0246582 0.89 774.0718994 1.97 775.1050415 0.74 777.5288696 3.58 778.8187256 5.58 780.0420532 1.42 781.0083008 0.40 781.8937988 0.28 783.5989990 1.79 785.3941650 1.39 786.2796021 10.35 787.1790771 3.95 788.0540771 0.33 789.3144531 0.64 794.7880249 51.28 795.6465454 17.80 796.5379028 0.35 797.3355103 0.21 802.5666504 0.22 803.6635742 0.56 808.8993530 0.65 810.4472046 1.63 816.0729370 2.06 820.3844604 0.75 823.3679199 0.59 825.2488403 3.26 826.1420288 0.97 826.7886963 0.16 828.6683960 0.40 830.0901489 0.82 834.2664185 0.32 836.1823730 0.62 840.0023804 0.56 846.4682617 0.49 856.9950562 0.28 858.0377808 0.22 860.4260254 0.31 861.6749878 1.70 862.6292114 0.13 863.4619141 0.56 865.1931763 1.56 866.7437134 1.92 868.0676270 0.33 870.6867676 2.72 871.6810913 3.46 872.4439087 1.28 873.8587036 10.88 874.6284790 2.26 875.4077148 0.36 877.6364746 0.18 879.1623535 8.16 879.9498901 7.03 881.4094849 0.77 882.8185425 0.37 887.5475464 23.70 888.2742310 36.87 889.0822754 4.69 889.9379272 1.66 891.1252441 0.27 896.3083496 1.23 903.2161255 0.27 904.8322754 0.84 909.3423462 1.98 913.4807129 0.99 922.8274536 8.33 923.8467407 1.64 927.6403809 0.15 929.4682617 0.45 931.8781738 0.55 935.9067993 0.93 936.7317505 0.58 937.3821411 0.52 940.7075195 0.73 943.5486450 0.49 948.1317749 0.51 951.7258301 0.58 953.3822632 0.16 962.2737427 0.22 971.1886597 1.18 974.5166626 0.70 976.3259888 0.32 977.7643433 0.73 979.8462524 4.47 980.6525879 0.78 981.7600098 0.08 987.1841431 2.73 988.2576294 2.28 991.1173706 1.67 993.2590332 0.56 996.7196655 0.08 1000.3620610 4.43 1001.2863770 2.95 1008.5728150 0.20 1012.4083860 0.45 1026.4688720 1.58 1028.0322270 0.11 1029.7231450 0.33 1034.2878420 0.59 1043.1511230 0.12 1044.7823490 0.09 1061.6739500 0.32 1082.5584720 0.14 1085.6793210 0.58 1090.7807620 0.71 1091.9876710 0.19 1094.2198490 0.13 1098.4958500 0.21 1101.7247310 0.13 1105.4433590 1.02 1113.8121340 0.30 1118.5443120 1.33 1132.1451420 0.73 1135.9348140 0.44 1136.8634030 0.08 1138.7397460 0.39 1155.8421630 0.29 1171.8348390 0.33 1172.9165040 0.41 1187.6022950 0.59 1201.8485110 0.39 1212.5888670 0.29 1217.6755370 0.18 1229.0277100 0.64 1229.7008060 0.42 1230.5194090 0.26 1235.0826420 0.46 1246.8182370 3.07 1247.7579350 3.08 1248.6602780 0.40 1249.2722170 0.20 1250.3581540 0.35 1259.9593510 0.73 1261.3969730 0.11 1263.8280030 0.35 1276.8001710 0.82 1285.6536870 0.14 1286.6424560 0.13 1304.7993160 3.00 1305.6474610 1.08 1307.0363770 0.66 1307.7086180 0.11 1336.7243650 0.19 1359.8050540 0.59 1360.6607670 0.63 1371.1632080 0.21 1387.6903080 0.45 1389.7180180 0.26 1401.0063480 0.58 1415.5013430 0.06 1417.0892330 0.14 1423.5333250 0.13 1432.8856200 4.14 1433.9041750 2.72 1434.9517820 1.24 1435.8771970 0.56 1461.8250730 0.18 1470.8288570 0.25 1505.9119870 0.55 1515.8326420 0.38 1523.3210450 0.22 1546.2933350 0.28 1547.3083500 0.15 1549.2821040 0.20 1589.1324460 0.53 1616.8728030 0.16 1619.4445800 0.27 1650.1086430 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 399.1506 Annotation Isopropyl apiosylglucoside Peak:m/z Relative Intensity 174.8957520 0.05 201.1908875 0.12 208.2216797 0.05 219.1902618 0.03 233.0249329 0.03 241.2074890 0.07 251.1003113 0.04 253.0757141 0.74 259.0315247 0.12 261.3354187 0.03 281.1356506 0.09 284.2485962 0.08 285.2274170 0.08 299.2848511 0.04 307.0587463 0.07 310.8188171 0.23 321.3665161 0.22 336.2271729 0.21 336.9468689 0.05 353.1925964 100.00 354.4145813 0.43 355.3825378 0.14 356.1603088 0.04 357.3497925 0.12 371.3016663 0.03 381.2431030 0.05 384.5447693 0.03 389.8678284 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 639.1935 Annotation Plantamajoside Peak:m/z Relative Intensity 179.1039734 0.44 181.0791931 2.14 193.0975342 8.81 195.3824310 0.88 203.0585175 0.10 207.2502594 0.45 209.1164398 0.10 220.9033508 1.08 229.9787445 0.19 231.1704407 1.48 233.2846069 0.12 235.1578827 0.61 241.0312958 0.18 249.1086731 15.60 250.1381531 0.23 251.1801910 6.55 252.1519775 0.92 253.1582184 5.31 254.0453644 0.18 259.2479248 0.31 267.1197510 30.29 269.4339294 0.14 271.0540161 0.11 279.2188416 0.12 281.2842102 1.68 283.2175903 0.19 285.1581726 0.19 286.0969543 0.08 291.4775085 0.16 295.0613403 0.75 298.9871216 0.30 303.3799438 0.59 307.2333374 1.80 311.1846313 1.30 313.9421387 0.26 315.1294556 1.39 321.4796143 0.16 323.1613770 0.28 326.9173584 0.64 333.4634399 0.69 337.6104126 0.22 339.1553345 1.18 341.2462769 0.34 349.1926880 2.70 351.3842773 0.47 361.3740234 0.91 365.2980957 0.41 367.2402344 0.46 371.0773315 1.67 373.0335693 0.37 381.1954346 9.93 381.8399658 0.11 383.2490845 1.01 387.2008667 0.17 388.6008301 0.28 389.2808228 0.98 396.9371948 1.84 399.2821655 1.42 401.3281250 0.54 409.2138062 7.57 410.0700684 0.56 411.3075562 8.53 413.1231079 0.65 423.1994629 3.92 424.2114868 4.79 425.2702637 25.82 431.3375244 0.38 439.2846069 13.00 440.4862671 0.35 441.1516724 5.66 442.1985474 100.00 443.2255859 69.71 449.2203979 1.29 457.2686157 21.82 459.2613525 0.56 460.3646851 0.08 461.5061035 0.47 463.2580566 0.11 465.2437744 3.79 467.1209106 0.98 473.2160034 0.12 476.6972046 2.91 477.5299072 1.60 479.1864624 5.42 485.3574829 0.33 491.4804077 0.72 495.5600586 0.37 497.2363892 9.98 500.1926880 0.06 505.3802490 0.14 506.4577026 0.21 507.4495239 0.21 508.4067993 0.20 511.2730103 0.37 515.3498535 3.53 518.2299194 0.63 520.5331421 0.12 523.2919312 0.94 531.3901978 1.03 533.1959229 0.08 542.2644653 0.29 544.1152954 0.10 545.5274048 0.27 549.3186646 0.28 550.2434082 0.16 551.2891846 0.31 552.3486938 0.83 553.4380493 0.52 559.0010376 1.82 561.4041138 0.62 570.2458496 0.06 573.3421021 3.31 579.1641235 1.02 584.1443481 0.58 585.2130737 0.30 589.1353760 2.17 591.2365723 8.09 592.6022949 1.36 594.1006470 6.87 595.2055664 3.10 602.0711670 0.06 603.2931519 3.33 605.3888550 0.14 607.2792358 11.10 608.3818359 0.19 621.2609253 38.30 622.2711792 0.05 624.2780151 0.39 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1249.5468 Annotation Unknow Peak:m/z Relative Intensity 438.3793640 0.41 439.4940491 0.83 440.1273193 2.23 440.8322449 0.82 467.4669495 0.18 484.4362183 1.10 485.2730713 0.43 501.5708618 2.80 502.4594727 3.27 503.6528625 0.19 524.1415405 0.19 543.4346924 0.68 544.2622681 0.64 550.5992432 0.20 554.1420898 0.15 586.5664673 0.17 603.0994873 0.20 672.5551758 0.16 780.4659424 0.57 792.7722168 0.20 804.5617676 0.19 810.6176758 0.61 811.7160645 0.24 821.4170532 0.39 822.5742188 1.72 823.3000488 0.37 924.7535400 0.12 926.7385254 0.14 927.3398438 0.18 941.8234863 58.74 942.5791016 100.00 943.5087891 26.36 944.3358154 0.46 1038.2462160 0.09 1083.3654790 0.65 1088.6721190 0.12 1118.6723630 0.12 1120.7542720 1.03 1188.2849120 0.78 1232.7027590 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 969.43 Annotation Unknow Peak:m/z Relative Intensity 291.3260193 0.09 334.9371033 0.20 413.3401794 0.07 469.7333374 0.51 471.2885132 0.65 499.4310303 0.04 527.8216553 0.06 535.4350586 0.11 539.7307739 0.03 559.4155884 0.05 579.5859375 0.49 585.5535889 1.52 597.5639038 0.42 601.5571899 0.04 625.5750122 0.23 629.7001953 0.09 633.1204834 0.03 643.5436401 1.77 647.1560059 0.49 647.8949585 0.25 669.5964966 0.11 687.4515381 0.19 701.5850830 0.10 705.4513550 0.13 733.4636230 0.04 741.6643677 0.17 745.5537109 0.04 747.6140747 0.16 748.4689941 0.13 749.6659546 0.25 763.5128174 0.09 786.5480347 0.13 787.5883179 0.08 791.4346313 1.47 805.5088501 9.43 806.2280884 0.05 809.5109863 68.42 810.2307129 0.36 821.4130859 0.42 837.4320679 0.39 847.7338257 0.03 849.4553833 13.83 850.0858765 0.04 865.5870361 1.05 867.5259399 30.97 879.3617554 0.19 881.7633667 0.20 893.5502319 0.07 897.3735962 0.78 898.0473022 0.35 907.7140503 0.24 909.4451904 1.62 910.3641357 0.90 911.0159912 0.25 925.4177856 100.00 926.1684570 0.09 951.1502075 1.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1250.05 Annotation Unknow Peak:m/z Relative Intensity 389.4689331 0.27 391.2818298 0.17 403.4149170 0.24 407.4568481 1.35 417.0167847 0.66 419.4182129 0.47 423.4568481 2.06 435.3707581 1.49 437.4805908 1.62 438.2981567 0.69 451.6237488 0.18 463.2132568 0.46 481.3777466 15.01 499.4129333 75.71 500.2092285 0.91 503.9104004 0.24 517.4663086 1.60 763.1203613 0.29 807.0634155 0.39 825.4227905 10.67 941.4916992 100.00 942.4460449 1.07 1099.6340330 0.12 1117.8286130 0.67 1119.8990480 0.26 1145.3775630 0.71 1205.1956790 0.25 1229.5334470 0.59 1231.7573240 0.93 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 837.3192 Annotation Unknow Peak:m/z Relative Intensity 253.8806915 0.01 278.1257935 0.01 293.1803589 0.05 299.2503357 0.07 301.2161865 0.05 302.8757935 0.05 311.0835266 0.01 313.5149231 0.01 323.1526489 0.05 346.4310913 0.02 354.1418457 0.02 355.0397949 0.14 388.1656799 0.07 430.3197021 0.03 442.4661255 0.02 463.2429199 0.04 481.4168091 0.40 497.3847046 0.03 499.4281006 0.12 502.0320435 0.02 505.5243530 0.02 530.3526001 0.06 534.4460449 0.04 539.3286743 0.27 540.4965210 0.02 545.5728149 0.03 552.3820801 0.03 565.4589233 0.01 571.2544556 0.01 574.2898560 0.01 575.4983521 0.02 579.4443970 0.04 580.6390991 0.01 581.6542358 0.05 583.3726807 0.28 592.6460571 0.01 596.3438110 0.17 600.2958374 0.01 604.4307251 0.02 606.3388062 0.03 607.1735229 0.03 608.2188721 0.08 611.5617676 0.05 615.4678955 0.30 621.6884766 0.04 623.7439575 0.04 624.8058472 0.02 630.8623047 0.07 639.4835205 0.10 640.5034790 0.01 644.4133301 0.01 651.4895020 0.08 655.0910645 0.33 656.4197998 0.14 657.5673828 0.31 658.4351196 0.02 661.5272217 0.08 667.6052246 0.04 673.3099976 0.02 674.4806519 0.15 675.4901733 0.15 682.4841919 0.02 689.7014771 0.02 693.4580688 0.05 694.3248901 0.01 701.4902954 0.01 707.4664917 0.05 714.2411499 0.12 716.2008667 0.01 717.6798706 0.03 719.3993530 0.66 728.5344238 0.01 729.5452881 0.01 730.7896118 0.01 731.5476685 0.03 738.4580688 0.04 740.7378540 0.03 743.4497070 0.04 755.4027100 0.05 756.1378784 0.01 759.4027100 0.08 760.4443359 0.16 761.5082397 1.90 763.4072876 0.32 764.3092651 0.09 765.5020142 0.02 774.0869141 0.02 775.3483276 0.16 777.3956299 0.41 783.5772095 0.03 787.4290771 0.23 791.3488159 0.03 792.1630249 0.12 793.2046509 0.12 798.5441284 0.05 800.5033569 0.10 801.3707275 0.11 805.3471069 100.00 806.0458984 0.32 807.3754883 0.02 809.4993286 0.02 814.8925171 0.02 818.3043823 0.06 819.5545044 0.09 828.4808350 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 949.2458 Annotation Unknow Peak:m/z Relative Intensity 331.2025757 0.08 408.3023376 0.07 412.0480957 0.02 414.9718933 0.04 475.1364136 0.01 493.2849731 0.04 505.1011963 0.04 505.7105103 0.06 609.5043335 0.05 637.1547852 0.06 655.3463135 0.09 679.2921143 0.09 685.3559570 0.08 705.5844116 0.04 743.1547241 0.05 782.9115601 0.07 787.3677979 100.00 809.2858276 0.02 816.3380127 0.04 817.3135376 0.02 818.5459595 0.03 832.7710571 0.05 839.1817017 0.03 861.7666626 0.02 888.8379517 0.02 904.3488159 0.15 905.7177734 0.04 927.2819214 0.06 931.1579590 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 553.3385 Annotation Notoginsenoside R10 Peak:m/z Relative Intensity 165.1991882 0.02 187.0901489 0.32 194.7170868 0.02 241.1425781 0.02 257.2847900 0.04 263.1554565 0.02 289.0889893 0.01 298.1145020 0.02 302.3926392 0.02 303.3587646 0.03 312.3465576 0.02 319.2257080 0.73 325.4563599 0.03 327.1354980 0.03 334.1896973 0.07 339.2459106 0.12 359.3173828 0.02 371.2285156 0.02 372.7182007 0.01 376.2459106 0.02 377.0473633 0.01 388.5592651 0.07 391.2255859 0.06 402.3942261 0.02 415.1377563 0.02 442.3692627 0.05 444.5410156 0.01 453.4443359 0.02 457.1874390 0.02 460.3269653 0.02 461.4915161 0.02 465.5981445 0.06 472.8323975 0.03 475.5214844 0.08 476.5649414 0.09 477.4197388 0.03 478.5767822 0.02 481.7321167 0.02 484.9513550 0.02 489.2520142 0.14 491.6632690 0.02 492.4031372 0.16 493.4390259 0.02 495.4067993 0.02 502.4006348 0.02 503.2815552 0.11 507.3970337 100.00 508.2543335 0.01 509.3999023 0.13 510.4132690 0.05 516.9679565 0.07 520.3735962 0.29 521.1517944 0.06 534.2517700 0.22 535.1991577 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0713 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 106.7529297 2.12 139.1426697 1.80 140.1766815 1.94 144.9993744 1.28 160.9205475 2.48 174.9534912 1.90 190.9898529 4.16 195.0128021 7.07 202.8750763 1.37 205.7422943 3.49 207.1439819 15.37 208.1770935 13.06 208.9971771 30.83 214.4999084 6.88 215.1012878 5.17 223.2164459 26.26 224.2241669 2.23 232.2236786 5.83 233.2847443 9.65 251.0642853 100.00 252.1533813 15.57 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 563.2347 Annotation Unknow Peak:m/z Relative Intensity 161.3214722 0.04 194.2637024 0.05 205.0668182 0.07 220.9968414 0.05 249.0774231 0.17 250.3069305 0.07 251.1347961 0.03 277.2580566 0.04 293.2039795 0.14 295.3483276 0.06 307.3866577 0.07 311.2028809 0.58 355.0642090 0.13 374.1454468 0.08 383.1663818 1.03 386.1436157 0.11 387.6531372 0.05 393.2070312 0.06 399.2307129 0.09 400.0364990 0.07 401.3157959 0.18 415.4450684 0.05 416.3807983 0.20 430.8462524 0.18 440.5341187 0.17 441.2240601 0.05 475.4839478 0.06 483.3798828 0.05 484.3703613 0.10 487.2855835 0.10 501.4190063 0.08 503.2510376 0.25 504.4110718 0.03 517.2630005 100.00 518.0156860 0.81 519.4763794 0.29 525.4785767 0.49 526.5117188 1.07 527.6348877 0.14 531.0592651 0.12 544.3449097 0.51 545.3339844 0.60 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 506.28 Annotation TMC 89A Peak:m/z Relative Intensity 146.0533905 0.13 159.2419128 0.03 175.0077820 0.13 176.9455872 0.95 187.0492554 0.04 188.0802002 1.13 189.2055969 0.07 193.2560425 0.13 196.9257812 0.10 205.1000671 2.68 213.0953674 0.20 215.4260864 0.07 220.9705048 0.98 223.0971375 0.02 225.2382355 0.17 233.0757751 0.17 239.1900940 0.31 242.1801147 0.02 254.4130859 1.20 255.2589722 0.81 256.4174805 0.74 257.5545654 0.08 261.2248230 0.05 264.5463562 0.07 265.2076721 0.22 268.2768555 0.06 272.3634338 0.13 273.2191467 0.04 282.4292603 1.49 283.3950806 0.52 284.5895386 0.37 288.0811157 0.03 294.2362976 0.07 302.0729370 0.07 308.5131836 0.09 309.2167358 0.58 310.2926025 0.14 311.2805786 0.13 312.9989929 2.65 314.0067139 0.54 315.1903076 0.12 327.1993713 100.00 334.2032471 0.10 335.7159424 0.15 341.2868958 0.02 341.9840393 0.07 344.1357727 0.09 347.6445007 0.03 349.6345215 0.02 370.5661621 0.18 371.3177185 0.25 372.2214966 0.14 374.4459839 0.04 376.5445557 0.12 387.1152954 0.04 389.1137390 0.06 392.1116028 0.02 398.2646179 0.14 399.2287292 0.06 400.4721985 0.14 401.8699646 0.08 402.4820251 0.04 407.5765686 0.02 410.3573914 0.21 411.7505798 0.06 414.5715332 0.32 415.2813721 0.23 416.0594177 0.34 417.1884460 0.04 418.4489441 0.39 419.4465637 0.22 423.3772888 0.17 424.2679138 0.06 425.2708130 0.86 429.2430725 0.03 430.2917175 0.03 432.7206116 9.90 433.4379578 8.84 435.2176819 0.05 437.7007141 0.05 439.3095398 0.07 442.3078613 0.51 444.1685486 0.07 445.0859680 0.03 446.7257385 19.93 447.3944702 11.39 448.2511597 0.23 449.8819580 0.06 450.6100769 0.19 455.9189453 9.51 456.8345032 1.76 458.1057434 0.04 459.4355164 0.10 460.5180359 0.13 464.3880920 0.57 468.4177551 0.20 469.5466919 0.17 471.1239929 0.06 473.1593323 3.00 473.8772278 1.18 474.7982483 0.12 477.8781128 0.05 482.4736023 4.19 484.3009949 0.07 487.4347839 0.50 488.3611755 0.78 488.9969788 3.58 490.4017029 0.14 491.8650513 0.15 492.5486755 0.03 496.4902039 6.08 497.3480835 1.13 498.0220337 0.09 498.9306335 0.08 500.9497375 0.09 505.6353455 1.01 506.5937805 0.14 507.5136414 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1321.5721 Annotation Taxchin A Peak:m/z Relative Intensity 355.9418335 0.09 372.9890137 0.05 423.6339111 0.10 441.5606079 0.19 455.6037598 0.26 493.6891479 0.05 499.2872925 0.08 513.4658813 0.12 517.3942261 1.13 534.7811279 0.14 536.0805664 0.08 559.4985352 0.06 595.3857422 0.04 603.7208252 0.05 628.3869629 0.39 663.6295166 0.71 675.2584229 0.11 687.7110596 0.08 712.3374023 0.19 773.4789429 0.09 775.2999268 0.03 787.4577637 0.14 801.7018433 0.05 825.3422852 0.45 836.9219971 0.12 865.3608398 0.06 872.9104004 0.20 909.6606445 0.05 931.2669678 0.65 937.1768799 0.06 945.4425049 0.20 949.4038086 0.21 950.5354004 0.12 953.6171875 0.17 963.2414551 0.16 971.5007324 10.35 972.1542969 0.07 997.6629639 0.18 1013.5985110 100.00 1014.7979740 0.09 1015.6589360 0.22 1030.8244630 0.04 1098.0476070 0.19 1107.3582760 0.32 1109.6104740 0.07 1125.4246830 1.19 1127.4782710 0.32 1145.4853520 0.32 1153.6704100 0.41 1155.3809810 0.09 1159.5261230 0.91 1172.4462890 0.20 1189.3101810 0.40 1190.6372070 0.70 1191.6636960 0.26 1233.2690430 0.11 1258.5582280 0.07 1259.6191410 0.14 1261.5937500 0.17 1272.3818360 0.47 1282.8425290 0.21 1286.7109380 0.19 1288.5266110 0.06 1289.1303710 0.21 1303.5509030 1.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1131.524 Annotation Sinocrassuloside II Peak:m/z Relative Intensity 367.4057312 0.10 410.6302185 0.25 421.4008789 0.10 439.4215698 0.42 440.7472229 0.29 483.3923340 0.69 501.4763489 0.73 502.5822754 0.53 523.5212402 0.60 615.6101074 0.21 616.3238525 0.11 677.4078369 4.63 678.3576660 1.49 776.3811035 0.08 852.6059570 0.06 937.8095703 0.37 938.7260742 0.07 955.5349121 100.00 956.5870361 46.59 969.4916992 0.09 971.5665283 0.41 972.6853027 0.18 1029.7761230 0.12 1043.9350590 0.07 1070.5982670 0.20 1087.6837160 0.28 1113.4555660 0.45 1114.2990720 0.58 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 969.93 Annotation Unknow Peak:m/z Relative Intensity 291.1171875 0.10 469.3972778 0.15 471.4169922 0.34 481.3926392 0.03 499.2597656 0.14 535.7181396 0.15 567.2449951 0.12 571.6166992 0.03 579.5606689 0.38 585.6126099 1.09 597.1749878 0.15 603.5419312 0.09 625.5785522 0.48 633.9752808 0.23 643.5626831 1.02 647.0153809 0.02 647.6270752 1.16 669.6327515 0.03 689.6838379 0.07 705.7145386 0.25 729.3579712 0.10 733.5479736 0.02 741.3368530 0.07 741.9924927 0.23 745.8351440 0.09 747.2953491 0.14 757.2687378 0.29 763.6333008 0.94 775.6004639 0.24 787.8732300 0.12 791.6531372 1.05 805.5593872 8.84 809.5345459 71.83 810.1721191 0.18 821.5014038 1.07 822.8577881 0.07 831.2835083 0.21 837.4006958 0.45 841.5009766 0.10 849.5434570 13.92 851.6476440 0.07 863.1791382 0.09 865.4463501 1.70 867.5460815 34.79 881.2197876 0.06 893.4793701 0.23 897.6430054 0.81 907.5403442 0.26 909.3178711 2.55 910.3931274 1.06 925.5026855 100.00 926.7514648 0.21 950.9370728 0.36 951.6897583 0.40 952.9411621 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 518.4741 Annotation Unknow Peak:m/z Relative Intensity 157.1674500 0.16 158.9941711 3.38 160.0627441 0.27 163.2106628 0.08 169.1400452 0.15 170.1570129 0.11 171.4469147 0.07 183.1517639 0.19 187.0682678 2.44 188.1603394 0.15 189.8367767 0.06 191.1031952 0.07 196.2606812 0.13 199.1801147 0.52 200.0948334 0.61 201.0718079 0.05 203.2526703 0.16 205.1764374 0.06 207.3205261 0.06 212.1202087 0.03 214.1877747 0.21 215.0937500 0.27 216.0108185 0.30 216.9234314 0.13 218.2154846 0.31 219.3419189 0.04 223.1419067 0.75 224.1518860 0.91 225.2664185 0.09 227.1950226 0.09 227.9594421 0.09 229.3719940 0.24 235.1152954 0.17 240.6284485 0.10 244.0139465 1.41 245.1374512 0.08 248.9810944 0.04 253.3643188 0.16 254.3720703 0.23 255.1195068 0.05 261.0673218 0.17 268.3211365 0.83 269.4003296 0.49 270.6836548 0.09 276.3192749 0.03 277.1777954 0.03 281.4833984 0.06 282.2902832 0.16 284.4243774 0.24 286.1613770 0.09 294.5217285 0.28 296.3121338 0.31 301.1726685 0.06 303.8132324 0.07 304.4558716 0.14 307.2462158 0.08 308.1693115 0.30 309.0489502 0.42 309.6857910 0.51 310.7407837 7.73 313.2939453 0.24 314.2474365 0.16 320.2957764 0.34 323.2280273 0.18 327.1954956 0.03 329.3400269 0.16 330.2813721 0.33 331.1650391 0.50 338.2142944 0.39 339.2839966 0.16 345.7501221 0.08 346.5457764 0.31 351.6305542 0.23 352.4323120 0.22 354.0959473 0.43 354.8427734 0.15 356.2474976 0.44 357.2545166 0.08 364.1005249 0.10 366.8853149 1.82 372.2450562 3.61 373.3611450 0.74 376.2845459 0.04 377.0119629 0.07 385.3395996 0.24 386.0360718 0.81 390.3562012 0.17 391.7032471 1.19 392.7564087 0.53 393.8874512 0.19 395.1739502 2.25 396.6634521 0.30 397.4017944 0.03 398.9590454 0.42 400.0516968 0.19 401.0979004 1.75 402.3383789 0.07 403.3225098 0.09 407.9356689 2.28 408.5888062 0.65 414.7587891 0.54 416.8029785 0.57 417.5093994 0.96 418.2021484 0.07 420.7698364 7.15 421.6257324 0.23 422.4615479 1.02 423.6350708 0.37 424.2452393 0.04 427.8613281 0.16 428.9121094 1.42 429.6871338 0.32 432.5164185 2.35 433.2732544 0.28 434.6869507 1.70 435.6135864 0.71 436.2606201 0.02 438.2687378 12.24 439.1704712 0.02 440.7025757 0.39 442.6268311 0.12 443.8626099 3.42 444.5610352 1.86 445.7130127 0.17 447.3115234 0.20 452.0860596 0.28 455.2696533 0.17 456.3214111 1.32 457.3458252 1.48 458.1790771 1.66 458.8400879 0.17 459.4561768 0.40 460.2850952 0.26 461.3804932 0.83 462.5869141 0.05 463.8411865 0.26 465.5167236 100.00 466.4908447 7.77 467.3630981 1.90 468.6520386 0.14 469.6831665 0.21 470.3933105 0.18 471.3869019 0.29 472.3181763 0.19 473.2185669 3.90 473.9536133 0.32 474.7343750 1.55 475.5779419 0.17 476.5231323 0.87 477.3771973 0.55 478.7352905 0.36 480.1494751 2.68 480.8582764 0.49 481.8393555 0.37 482.9116821 0.05 484.3332520 0.03 486.2000732 3.39 486.8411865 1.86 487.5510254 0.17 488.6970825 0.35 489.9256592 0.12 492.4826050 3.87 493.1423950 0.92 495.9408569 0.31 500.3605347 5.00 501.2166138 2.38 502.5259399 0.04 503.9823608 0.61 504.7208252 0.79 505.7208252 1.32 506.5355835 0.06 508.1238403 8.99 508.9384155 0.99 511.4841919 3.03 512.2748413 0.29 515.3440552 0.16 518.7578735 0.21 526.8192749 0.23 527.6760254 0.27 529.3727417 0.73 530.8295288 0.47 533.1425781 2.17 533.7598267 0.03 534.5180054 0.19 536.3886108 0.49 539.0676880 3.64 540.3138428 1.12 541.0990601 0.04 541.7069092 0.43 542.3106689 4.77 543.1248169 1.37 545.0162964 11.14 546.0074463 0.58 546.9742432 0.05 548.3994751 17.06 550.0360107 0.81 550.7003174 1.13 551.3541870 0.05 552.1964111 0.37 554.2607422 16.56 555.4236450 1.44 556.4343872 0.13 557.5556030 8.65 558.5139160 12.26 559.5089722 3.31 560.5364990 0.43 561.5483398 0.24 562.6394043 0.19 563.3596802 0.14 566.4586792 0.14 568.0046997 0.31 573.0701904 1.20 574.1069946 0.34 574.8715210 0.08 578.3762207 0.04 581.9027710 1.04 582.6389771 0.29 584.2604370 0.26 586.9696045 11.98 587.5928345 1.73 590.2572021 0.08 591.1052856 2.19 592.0635986 4.94 593.0819702 0.62 594.6793823 0.09 596.2124634 0.30 597.6198730 0.45 599.4851685 0.11 601.0521851 5.50 601.9833984 0.99 602.8251953 0.08 604.1453857 0.12 605.2670288 0.32 606.0585327 0.07 610.3240356 1.55 611.1737061 0.06 612.2667236 0.51 613.0095825 0.35 613.6837769 0.05 614.9956055 4.68 615.8322754 0.25 617.0183716 0.72 617.7720337 0.35 619.3651733 4.04 620.0757446 0.23 621.6773682 0.87 624.1604004 3.70 624.8511353 0.34 625.8914185 0.04 628.7410278 0.49 630.5924683 41.04 631.5621338 3.34 632.4993896 0.35 633.2534180 0.10 634.8751831 0.11 638.7905884 0.31 639.4248657 0.25 641.4050293 0.14 643.4368896 0.37 644.3359985 0.51 652.2832031 0.33 656.3476562 0.16 657.2951050 0.97 657.9165649 0.07 658.8134155 0.11 661.2897339 0.37 665.4940186 10.57 666.1853638 5.46 667.2667847 0.33 668.0671997 0.06 669.5260620 0.29 671.9904175 0.21 672.6862183 0.19 677.4602051 1.31 678.3716431 0.15 679.6241455 0.31 685.9184570 0.34 686.6569214 0.48 689.9826050 0.11 692.0567017 0.23 694.9662476 1.22 695.7014160 1.88 696.5321655 0.22 700.3979492 3.24 701.1821289 0.10 709.1954956 5.43 710.0875854 1.50 711.5145264 0.51 712.3827515 0.41 714.1293335 0.24 715.9816284 0.09 716.9288940 0.23 717.7596436 0.47 718.9263916 0.39 720.0303955 1.77 720.7268677 0.68 721.9093628 0.38 723.0379028 0.19 724.8930664 0.04 728.8132935 12.54 729.7067871 5.31 730.5112915 0.26 731.5535889 0.12 733.8889771 0.03 735.4812012 0.08 737.6943970 28.78 738.6557007 6.80 739.5943604 1.34 740.6909790 0.28 741.6183472 0.32 742.6253662 0.10 743.8389282 0.26 745.5370483 0.54 757.4445190 0.24 758.1311035 0.35 758.9119873 0.32 759.6296997 0.13 762.5807495 0.09 766.3488159 0.97 767.5595703 0.25 768.5254517 0.09 770.6926880 0.08 773.4124756 0.18 776.5009155 0.14 779.9047852 0.38 787.7230225 0.09 790.5001221 0.05 796.1750488 0.40 797.5181274 0.04 798.6499023 0.04 799.2887573 0.29 807.6199341 0.32 808.5130615 0.28 810.9888306 0.36 812.3532104 0.29 813.0747070 0.85 814.3183594 1.34 815.4981079 0.49 817.6226196 0.37 819.5563354 0.11 821.3869629 1.57 822.2133789 2.80 827.5665894 0.15 828.7331543 0.15 830.6406860 2.26 831.4912720 1.83 832.1537476 0.47 832.9280396 0.12 842.6755371 0.06 846.7983398 0.17 849.5027466 0.14 859.5518188 0.12 861.5751343 0.11 864.6271973 0.23 869.4875488 0.23 884.5259399 0.18 886.6987915 0.13 887.7218628 0.08 904.4734497 0.13 910.4512329 0.04 911.8161621 0.07 914.0700073 0.72 915.5754395 0.16 923.3630981 0.05 929.4978027 0.22 955.4562988 0.04 958.4883423 0.04 959.5177612 0.09 961.4345703 0.07 970.6215210 0.20 971.8623657 0.03 974.3786011 0.64 975.6325073 0.07 976.4583130 0.05 977.9455566 0.10 982.8867798 0.33 989.6023560 0.18 992.4523315 0.30 999.7529297 0.06 1008.1276250 0.14 1027.4667970 0.06 1030.7994380 0.19 1061.4055180 0.10 1071.3200680 0.23 1082.9094240 0.08 1083.6145020 0.12 1090.3666990 0.12 1101.2664790 0.46 1101.9356690 0.19 1102.6698000 0.06 1103.4162600 0.20 1104.7221680 0.04 1118.5948490 0.54 1119.4609380 0.08 1137.3383790 0.04 1161.0618900 0.10 1162.3841550 0.07 1171.9792480 0.14 1189.8044430 0.04 1190.8470460 0.10 1226.7504880 0.25 1228.8538820 0.10 1229.8001710 0.18 1230.7760010 0.04 1231.9390870 0.36 1239.3648680 0.03 1246.7634280 0.61 1247.9431150 0.61 1256.5041500 0.14 1259.0989990 0.04 1318.2080080 0.51 1353.0343020 0.03 1419.4598390 0.08 1634.4001460 0.03 1833.8643800 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 605.24 Annotation ES 242-1 Peak:m/z Relative Intensity 181.1316986 0.23 186.1220551 0.20 205.2808228 0.06 221.2798920 0.07 222.2523193 0.19 223.3080750 0.15 234.2969055 0.21 236.1583557 0.60 239.0467987 0.19 247.1139679 0.09 268.1560059 0.22 291.3410034 0.19 293.3843384 0.20 295.4053955 0.05 299.3720703 0.17 302.3920288 0.15 312.2697144 0.33 315.0846558 0.06 321.8603516 0.34 322.9240112 0.05 326.5483398 0.12 331.0666504 0.09 334.6986084 0.11 338.3061523 0.15 339.5564575 0.10 341.3890381 0.07 356.4656982 0.07 359.3856812 0.11 364.2180786 0.05 371.2205200 0.06 377.4348145 0.21 391.2272339 0.11 393.6071777 0.23 397.5192261 0.30 398.2907715 0.10 406.1872559 0.17 408.4328003 0.21 410.3538208 0.07 418.5038452 0.12 419.2705688 0.12 425.5948486 0.06 427.4263306 0.07 436.3708496 0.17 437.3546753 0.18 439.4285889 0.41 440.3244019 0.50 442.5193481 0.22 444.2008057 0.36 445.9249878 0.25 451.5944214 0.24 454.1048584 0.05 455.2926636 0.61 456.1332397 0.18 457.3137207 0.09 458.4088135 0.39 459.3670044 0.13 463.1531982 0.13 466.5532837 0.07 469.3764648 0.56 470.3488159 0.35 471.5042114 0.62 472.6427612 1.35 473.4647827 0.85 474.1511230 0.04 475.3321533 10.40 476.4884033 1.98 477.4724121 1.88 478.2888184 0.49 481.1272583 0.36 483.4340820 2.16 485.0159912 2.11 486.4094849 0.25 487.4990845 0.29 488.3369751 0.42 489.6166992 0.36 490.2281494 0.29 491.1013794 0.09 492.6176758 0.15 493.4862671 0.16 498.0561523 0.95 499.3659058 2.52 500.1428833 1.19 501.3647461 3.05 502.3496094 1.06 503.4688110 3.21 504.4859009 1.73 505.3615112 3.72 506.5436401 0.83 509.2104492 0.22 510.7269897 0.50 511.4319458 2.60 512.5085449 1.04 513.5769043 1.43 515.3193359 12.15 516.3000488 20.33 517.3759155 24.18 518.4667969 7.68 519.3933105 0.09 523.3770752 0.40 527.3812866 5.19 528.4063721 3.13 529.4609375 5.03 530.4114380 2.24 531.4711914 3.20 532.2344360 1.70 533.4539185 1.17 534.5655518 0.23 536.3775635 0.22 537.4122925 1.27 540.7212524 0.08 541.7629395 0.27 543.1710205 2.53 543.8386841 0.49 545.2998657 36.73 546.4083862 20.54 547.4317017 4.62 548.3432007 3.14 549.3594360 3.10 550.4003906 0.73 554.8035889 0.38 555.4816284 5.56 556.3637695 1.80 558.3309326 0.26 559.4522095 5.10 560.4480591 1.28 561.4198608 1.13 562.2727661 1.24 568.6870728 0.44 569.6593628 0.30 570.5563354 0.24 573.3617554 12.57 574.3880005 5.09 575.4335938 2.06 576.3139038 12.01 577.3899536 12.41 578.3862915 1.23 587.3411865 100.00 588.3694458 30.11 589.1550293 0.15 605.5473022 0.80 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1407.6058 Annotation Unknow Peak:m/z Relative Intensity 405.1694946 1.63 409.4386597 0.11 483.5573120 0.36 501.2778015 3.31 502.5461731 1.02 543.4763184 0.45 544.1972656 0.74 612.4401245 0.22 761.6453857 1.17 762.4699707 0.40 779.5072021 0.30 809.3939819 0.43 832.4161377 0.17 863.4902344 0.09 887.7946777 0.22 949.6076660 0.10 967.5615234 0.91 968.6624756 0.28 1037.3962400 0.13 1039.6503910 1.77 1040.9143070 0.46 1057.5126950 1.63 1058.5054930 0.73 1059.1251220 0.59 1099.5183110 100.00 1100.5043950 40.49 1101.1732180 0.08 1101.7805180 0.49 1167.8154300 0.11 1239.6226810 0.17 1275.5837400 1.07 1277.2421880 5.43 1277.8496090 1.31 1278.7393800 0.28 1329.5284420 0.50 1345.7988280 0.16 1364.4631350 0.07 1389.6191410 0.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 845.1148 Annotation Unknow Peak:m/z Relative Intensity 235.0151520 0.18 246.4669647 0.05 249.0984497 0.16 257.1716919 0.08 258.0109863 0.06 261.0827026 1.10 261.9144897 0.53 292.3278809 0.06 313.1111450 0.31 315.0404053 0.05 316.1448975 0.10 321.2734985 0.05 321.9330139 0.12 324.9677429 0.11 330.3812866 0.10 341.3591614 0.24 348.1427002 0.10 360.1955872 0.28 366.2540283 0.16 367.1105347 0.05 399.0324707 0.06 454.0905762 0.07 462.6098633 0.12 463.2780762 0.28 472.3802490 0.22 479.6054688 0.08 504.4628296 0.31 536.1076660 0.06 543.5429077 0.18 547.6130981 0.13 559.2850952 0.12 562.2423706 0.46 563.6638184 0.14 572.2633057 0.15 579.4110718 0.06 596.5945435 0.07 609.5223999 0.08 614.0993042 0.13 615.0158081 0.06 616.7095337 0.03 655.1614380 0.08 661.1542358 0.58 665.3339844 0.26 669.3523560 0.21 683.2470093 0.22 713.1005249 0.33 715.5107422 0.39 716.3840942 0.04 726.1833496 0.24 727.3899536 0.18 730.8188477 0.21 735.7638550 0.18 736.4979858 0.38 753.9614258 0.31 755.1063843 0.25 766.4380493 0.37 767.7651367 0.10 769.2500610 0.09 772.4006958 0.28 773.1542358 0.04 775.8386841 1.41 780.4931641 2.19 781.4713745 0.19 782.1145020 0.28 783.2565308 0.18 784.4163818 0.35 785.1558228 0.60 786.4796753 0.32 787.6365356 0.04 789.8679199 0.24 790.5148315 0.17 794.2171021 1.19 798.4873657 0.39 800.4467163 0.31 802.0919800 1.12 802.7333374 0.11 804.7133179 1.09 806.1345825 0.10 807.3106079 0.21 809.1283569 2.02 809.8442993 1.04 810.5076294 0.53 812.4906006 0.40 813.5285034 1.38 816.4619751 1.50 817.3028564 3.81 818.1990356 0.16 819.4863281 0.71 821.1712036 0.15 822.0221558 0.43 823.3238525 0.39 824.4542236 0.08 826.7639771 1.84 827.5811768 0.07 829.9249878 1.42 830.6795044 0.16 831.3298950 0.38 832.7091064 0.69 834.1138306 2.43 834.7721558 0.17 838.2487183 0.08 856.2078857 0.11 857.3883667 0.13 863.2451782 0.60 876.2775269 0.51 884.9308472 0.68 890.1574707 0.37 891.4992065 0.55 892.5595703 0.04 893.5773315 0.19 897.6216431 0.30 900.8856812 0.12 908.3650513 0.22 914.2068481 0.33 919.0311890 0.29 922.1784668 0.41 925.0507812 0.86 930.5244141 0.49 931.2563477 0.34 933.5416870 0.82 934.4384766 0.32 935.6079102 1.72 937.0693970 0.03 939.5237427 1.05 940.4287109 0.10 944.8486328 0.24 945.5608521 0.38 950.4462280 0.31 952.4127808 0.16 954.7302246 0.26 958.0236816 0.16 958.8620605 0.58 960.6129761 0.43 961.8044434 0.13 963.8127441 2.06 964.5292358 0.33 965.2322388 0.27 967.0922241 1.16 968.1796265 1.50 969.7048950 0.21 970.6159058 0.39 971.2805786 0.51 973.1290894 1.21 975.7030640 0.31 980.3906250 0.29 981.5388794 0.39 982.3182983 0.75 983.0653687 0.10 986.6093750 0.10 989.8181763 0.33 991.7817383 4.38 992.5988159 0.11 995.0111694 0.71 996.5739136 0.83 998.0224609 2.11 1000.6262210 1.36 1001.6470340 1.88 1002.6376340 2.67 1003.4757690 1.40 1005.3943480 0.56 1007.2316280 31.19 1007.9819950 5.26 1008.9461060 0.13 1011.2106320 2.37 1012.0703120 0.46 1013.2749020 1.31 1014.0785520 0.78 1014.8506470 0.05 1019.2426150 0.24 1022.6479490 0.64 1025.7420650 0.19 1026.5417480 0.35 1027.2557370 0.21 1028.9725340 1.52 1030.1402590 1.27 1031.4085690 0.62 1032.4566650 1.11 1034.4316410 9.87 1035.3015140 0.61 1036.0678710 0.71 1037.6779790 0.11 1039.0236820 0.04 1039.6256100 5.77 1040.4991460 100.00 1042.2583010 1.22 1043.3316650 1.21 1044.6101070 1.80 1045.6083980 2.39 1046.3208010 0.28 1047.1828610 0.63 1048.0571290 0.14 1050.6860350 6.52 1051.5949710 4.28 1052.6824950 0.34 1053.5418700 0.15 1054.2333980 0.64 1055.0039060 0.21 1055.6960450 0.09 1059.0202640 1.72 1059.8675540 0.29 1061.2003170 0.68 1063.0427250 0.73 1066.1807860 2.13 1068.5574950 0.91 1069.5695800 0.87 1070.2821040 0.49 1070.9624020 0.14 1072.2293700 1.29 1073.0302730 0.87 1075.6671140 1.69 1078.3317870 11.53 1079.0450440 2.88 1081.0485840 0.25 1083.3613280 3.35 1084.3143310 1.16 1087.2691650 0.21 1089.1330570 14.45 1089.7867430 10.30 1090.4328610 0.12 1091.0499270 0.30 1091.7784420 0.44 1092.9738770 0.72 1094.3508300 1.61 1097.0822750 0.08 1098.1296390 0.91 1112.1257320 0.34 1113.2454830 0.16 1118.4572750 0.30 1154.4902340 0.24 1168.7080080 0.06 1170.0949710 0.42 1177.3240970 0.12 1182.5815430 0.32 1194.6188960 0.23 1197.2265620 0.37 1212.3330080 0.49 1219.2550050 0.07 1220.3325200 0.10 1221.6844480 0.53 1228.7646480 0.30 1229.9154050 0.53 1235.5434570 0.03 1237.0390620 0.30 1239.6794430 0.16 1269.9930420 0.15 1278.5285640 0.49 1279.6912840 0.63 1283.0737300 0.40 1284.8265380 0.11 1288.2193600 0.37 1314.2465820 0.06 1315.9483640 0.19 1317.3026120 0.05 1320.8137210 0.29 1329.1534420 0.35 1330.1329350 0.22 1332.9471440 0.22 1334.0183110 0.24 1335.5089110 1.02 1336.4012450 0.61 1338.5854490 0.24 1342.1401370 0.53 1345.6136470 0.56 1349.1569820 0.09 1352.5784910 0.63 1353.2304690 0.39 1365.8464360 0.06 1369.7279050 0.21 1376.5545650 0.30 1377.9967040 0.26 1381.3192140 0.31 1382.0499270 0.20 1387.3189700 0.27 1388.6524660 0.17 1393.7176510 0.03 1396.6328120 0.65 1401.9672850 2.42 1402.8795170 3.19 1403.7254640 0.96 1404.3500980 0.33 1408.6746830 0.32 1409.5659180 0.40 1416.2630620 0.35 1418.5755620 0.41 1427.8052980 0.14 1428.4110110 0.11 1432.0523680 0.65 1433.9555660 0.84 1438.0448000 0.07 1442.3968510 0.34 1445.6466060 2.54 1446.3367920 0.27 1447.2276610 0.36 1450.7878420 0.12 1452.5181880 0.30 1453.1370850 0.41 1465.2239990 0.21 1470.0764160 0.29 1472.8323970 0.57 1478.1302490 0.07 1485.1213380 0.21 1486.2418210 0.71 1487.0764160 0.46 1493.7445070 0.06 1496.6630860 0.46 1502.0013430 0.19 1503.1458740 0.34 1504.8050540 0.16 1505.5416260 0.06 1507.1210940 0.40 1511.1790770 0.22 1519.2506100 0.12 1520.2048340 0.16 1529.0594480 0.47 1552.6245120 0.23 1556.5152590 0.11 1568.5054930 0.38 1596.5335690 0.09 1627.0965580 0.05 1636.6096190 0.18 1675.4224850 0.14 1721.9268800 0.16 1751.7292480 0.24 1827.5285640 0.10 1952.0345460 0.06 1996.9019780 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 533.187 Annotation Isosyringinoside Peak:m/z Relative Intensity 159.0376892 0.06 160.9619751 0.63 168.8741150 0.02 175.1169128 0.09 177.2565308 0.06 187.2344971 0.04 191.0212708 0.16 193.3976135 0.03 220.4662476 0.11 221.4451294 0.04 231.1409607 0.04 233.0190125 0.83 235.2684631 0.11 240.2423096 0.10 241.1597595 0.12 250.0761108 0.06 251.2673492 0.10 263.3770447 0.03 264.2343140 0.02 267.0911865 0.25 269.1494751 6.00 272.1873779 0.08 281.3848877 0.04 291.3414917 0.05 293.0568848 0.99 294.3757935 0.21 303.1853638 0.05 307.1804810 0.03 309.0854492 0.08 311.0769043 0.04 318.9622803 0.09 321.0415039 0.14 328.3375244 0.03 329.2944336 0.07 333.3378906 0.05 335.4244385 0.16 337.1983032 0.17 341.3768311 0.16 345.1740112 0.08 347.8918457 0.06 349.1665649 0.08 353.2800903 1.02 356.1051025 0.08 357.3671875 0.58 365.0571289 0.07 370.3160400 0.02 371.2013550 0.12 383.2239380 0.79 387.4733276 0.17 399.4563599 0.05 401.2186279 100.00 402.0900879 0.56 412.2914429 0.05 413.0386963 0.03 425.3389282 0.13 426.4662476 0.08 429.3981934 0.10 441.0664062 0.20 443.2238159 0.18 444.4005737 0.10 445.3837280 0.13 446.4217529 0.06 453.4324951 0.44 454.4633789 0.03 457.3898315 0.07 458.3714600 0.13 461.3024902 0.04 470.2139282 0.04 482.0627441 0.20 485.1937866 0.17 486.4531250 0.08 487.1561890 0.73 488.2675781 0.06 489.3991089 0.41 494.6002197 0.09 496.0936890 0.11 497.2313843 0.14 498.2306519 0.05 500.2640991 0.05 501.2402954 0.03 502.7317505 0.09 504.1366577 0.03 514.2913208 0.22 515.1386108 0.75 523.3485718 0.28 523.9725952 0.39 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 807.4176 Annotation Bryostatin 10 Peak:m/z Relative Intensity 259.0330811 0.01 277.0735168 0.01 319.2667847 0.05 325.3144531 0.03 335.2943115 0.03 337.2022705 1.16 338.1376343 0.12 355.5028687 0.01 423.8212280 0.20 424.5723267 0.03 425.7307129 0.00 431.3424072 0.04 469.4023438 100.00 470.4885864 18.94 483.4483643 0.03 499.4508667 0.08 500.6011353 0.02 574.7250366 0.01 606.4887085 0.06 612.5539551 0.02 616.9070435 0.01 622.9750366 0.02 627.4569092 0.04 628.3287964 0.01 643.2908325 0.02 644.2335205 0.07 645.4480591 0.09 646.9024048 0.06 647.5582275 0.03 648.8998413 0.06 663.5892944 0.01 677.4390869 0.01 688.3312988 0.01 698.9736938 0.01 705.5052490 0.05 709.9724121 0.01 720.1156616 0.01 733.5075073 0.01 748.4374390 0.01 758.0658569 0.02 762.0774536 0.01 763.2987671 0.10 764.4425659 0.03 772.0144653 0.10 789.4332886 0.06 790.3168335 0.07 792.2559204 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 367.1604 Annotation (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] Peak:m/z Relative Intensity 111.0006561 0.06 113.0125122 1.42 115.0195389 0.03 118.9590836 0.03 124.9682846 1.21 129.0660706 0.24 130.9646149 0.32 140.8952942 0.18 143.0028687 0.52 148.4330750 0.10 149.0566559 0.69 154.9569855 0.05 158.9684448 1.14 161.0812378 11.56 175.0807800 0.07 182.0483704 0.07 183.4607849 0.05 191.0697021 0.13 203.2087708 0.09 204.2781525 0.11 214.8506317 0.07 217.1781006 0.09 221.0159302 0.04 231.3617554 0.05 233.1626892 2.72 235.1208801 100.00 241.0223083 0.17 242.0342102 0.03 261.7994080 0.05 264.4979248 0.05 267.5509033 0.06 271.0158691 0.16 273.2052002 0.75 277.1387939 0.20 287.3004456 0.22 291.2360229 1.40 293.1375732 2.35 295.3228760 0.06 303.0697327 0.14 304.4217224 0.05 306.9779053 0.27 311.2055969 0.06 316.9462280 0.38 320.9920654 0.48 323.0588684 0.28 335.0767822 0.34 339.4561157 0.07 340.0703125 0.09 348.1488342 0.90 349.1236877 3.70 349.7635193 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 357.25 Annotation 13,14-dihydro-15-keto Prostaglandin E1-d4 Peak:m/z Relative Intensity 130.8907776 0.26 134.8332367 1.12 147.2608337 0.15 159.0223083 0.43 169.0917664 0.35 177.2894287 0.68 183.1334839 0.85 185.0623627 1.75 186.8233643 2.26 199.1388245 0.77 201.0977173 0.22 203.3056183 0.30 209.3022614 0.22 212.8670349 0.77 215.0954895 2.83 217.0231934 0.23 225.9557495 0.29 227.4419556 0.54 229.1417236 2.54 231.2296143 0.28 241.2044983 0.92 243.2386169 1.60 245.0985718 0.30 255.4394836 0.11 257.294342 2.72 259.2597961 0.75 263.3250122 2.13 269.2923584 1.31 271.2124634 2.73 273.2674866 0.45 277.4761658 0.34 281.0307922 0.12 283.3323364 0.81 285.2545776 5.03 289.1055298 0.94 295.2817688 1.71 297.3374939 3.88 299.2458191 3.39 301.5944519 0.29 311.2516479 3.61 313.2701416 3.99 315.1486206 3.48 321.0923157 2.05 321.9985352 1.40 323.3552246 9.79 325.0201721 0.42 329.3675232 0.75 330.9247437 0.18 339.244751 100.00 341.45047 26.25 342.1399231 62.08 343.2134094 3.36 353.0479431 0.78 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 455.1862 Annotation Unknow Peak:m/z Relative Intensity 134.9511566 0.17 135.7158813 0.02 143.2271881 0.06 146.2588959 0.03 155.3257446 0.02 156.0594940 0.23 160.2058258 0.02 163.9061279 0.04 165.8365784 0.11 170.0388489 0.05 173.1694031 0.03 176.2097321 0.05 180.1194763 0.06 182.0896606 0.09 182.8860474 0.08 184.2362976 0.04 185.1924133 0.14 188.9510193 0.07 190.0177002 0.02 191.2648315 0.09 197.4361572 0.08 198.1269226 0.06 199.3529968 0.05 214.7549744 0.22 216.9260712 0.08 219.1004028 0.05 221.3218231 0.03 223.3447113 0.06 228.2642059 0.09 233.0807037 0.22 235.1952209 0.11 236.5103455 0.13 240.2030792 0.05 241.2605896 0.42 250.3642883 0.14 254.4647827 0.08 255.7872620 0.12 256.7985840 0.06 260.2604980 0.05 264.9744568 0.02 267.4271545 0.03 269.4404297 0.09 271.3678284 0.19 272.2993164 0.03 273.1448059 0.09 274.2212830 0.08 274.8587952 0.10 276.2187500 0.09 281.6598816 0.24 283.2589417 0.14 287.1229858 0.30 288.9902039 0.03 292.3598938 0.19 293.2107544 0.38 293.8890991 0.29 308.9089050 0.09 312.3401794 0.05 316.1139221 0.03 319.6793213 2.02 320.3949280 0.51 321.3094482 0.14 323.2891235 0.34 324.1003113 0.02 325.5218506 0.05 326.3062744 0.15 328.7987671 0.25 331.3486633 0.24 332.2960510 0.20 333.3378296 0.02 333.9440918 0.02 334.9616699 0.03 336.2825317 0.22 338.5146790 0.73 339.3357239 0.10 340.7114868 0.06 342.6184692 0.68 345.2727051 0.43 347.2249146 0.31 348.2506104 0.06 348.8533325 0.11 349.5639648 0.02 350.1972961 0.14 352.4847412 0.29 357.3039551 0.07 362.1506042 0.05 364.7591553 0.36 366.8579102 0.33 370.7270508 1.12 371.4413452 0.61 373.5933533 0.08 375.1965332 0.18 377.4432068 0.02 379.3882751 0.32 380.2513428 0.30 381.7044983 0.05 383.4033813 0.04 385.2668762 0.08 387.1198425 1.02 387.9118347 0.25 389.0989075 0.33 392.0890198 0.44 392.6976624 0.17 393.7944031 0.12 397.5548096 0.17 400.4277954 7.16 401.6736145 0.83 402.3716125 0.43 403.1787720 0.09 403.8846436 0.05 404.7606201 0.06 405.8523254 0.51 406.8601685 0.68 409.2012939 3.06 409.8662109 3.21 410.6530762 0.47 411.5003967 0.71 413.4330139 0.05 414.4433899 3.18 415.4035339 0.73 416.9302673 0.60 418.4746094 1.94 419.2555542 3.78 419.9619751 2.13 423.4680481 100.00 424.4432678 1.62 425.4314880 0.33 426.4633789 0.10 427.2079773 0.27 428.2405701 0.06 429.6765137 0.39 432.4573059 26.57 433.3888245 1.19 434.5962219 0.57 435.7635498 0.22 436.5355530 0.56 437.3733215 2.18 438.3044739 0.25 439.9649353 0.74 441.2983093 24.01 441.9085388 11.77 442.8626709 0.47 443.4843445 0.20 444.4051819 0.12 446.5177917 17.50 447.4450989 2.60 448.3053894 0.36 454.5603027 0.15 464.1569519 0.14 471.4714966 0.15 475.4166870 0.14 476.4049683 0.05 487.3927307 0.11 488.6410828 0.64 490.8558044 0.58 492.1199036 0.22 492.8794861 0.11 495.0702515 0.20 497.3481750 0.19 498.0445862 0.04 498.8777466 0.11 501.1302795 0.05 504.6557922 0.03 505.4365540 0.03 507.1202087 0.02 508.0075378 0.05 510.5581665 0.15 513.2268066 0.14 515.0717163 0.09 516.6390381 0.98 517.4398804 0.07 519.7097778 0.07 520.7605591 0.25 526.2689209 0.10 527.3707886 0.26 528.3156738 0.06 532.4819336 0.17 533.4983521 0.04 549.6557007 0.28 555.7139282 0.02 557.2416382 0.12 562.4119873 0.85 563.2587280 0.16 565.0694580 0.12 565.9901733 0.26 569.5356445 0.16 570.2215576 0.12 573.5247192 0.30 578.4309692 0.04 584.4711304 0.06 589.5093384 0.02 590.1661987 0.04 595.6741333 0.03 597.4804077 0.02 598.5322876 0.03 603.5668335 0.03 604.2069092 0.06 606.4629517 0.07 613.2515869 0.20 621.3308716 0.02 623.4606323 0.10 626.2052002 0.07 628.6062622 0.03 634.5021362 0.06 643.0637817 0.06 646.6351929 0.06 651.3925781 0.02 652.1654663 0.09 665.6038818 0.02 666.2665405 0.09 671.5039673 0.08 672.8912964 0.13 676.5260620 0.13 677.5557861 0.07 682.6930542 0.24 683.8579712 0.29 685.5599976 0.02 688.5808105 0.06 693.4678345 0.19 705.6433716 0.03 709.4671631 0.33 711.7052612 0.10 712.5774536 0.14 713.3862915 0.07 715.6520996 0.13 726.4707642 0.21 727.5271606 0.06 729.3544922 0.04 730.8601685 0.10 732.0795898 0.07 733.7117310 0.12 743.6994629 0.06 744.5980225 0.28 745.3845825 0.10 747.7787476 0.07 748.5604858 0.05 754.3716431 0.11 756.8158569 0.18 758.7414551 0.12 760.3193359 0.27 761.3030396 0.15 773.2689819 0.04 775.4868774 0.20 786.6024170 0.15 794.4041138 0.04 800.3433228 0.03 832.6213379 0.03 838.3983765 0.17 849.5772095 0.05 869.6875000 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 474.2623 Annotation LysoPE(0:0/18:3(9Z,12Z,15Z)) Peak:m/z Relative Intensity 140.0745697 0.09 151.2753143 0.02 152.9777527 0.19 158.8416595 0.02 174.2813568 0.03 179.2735291 0.04 187.2690735 0.08 191.5746918 0.02 196.1384583 0.28 203.4343872 0.03 205.8016968 0.03 207.9678040 0.06 214.1609344 1.97 215.3158417 0.15 220.9638519 0.02 233.4054108 0.18 234.1806641 0.06 253.0515747 0.03 256.7830505 0.05 259.2851562 0.08 260.5736389 0.02 269.2183228 0.04 275.1400757 0.16 277.2985840 100.00 278.2717590 32.02 279.2002869 0.04 280.9769897 0.06 290.9569092 0.05 293.9868774 0.04 341.2228088 0.01 342.2191467 0.07 344.9729614 0.03 363.1801453 0.02 365.2021179 0.08 370.5596619 0.01 379.3939819 0.10 386.7312622 0.14 387.5354309 0.07 389.2607727 0.13 399.1708374 0.03 401.2935486 0.05 411.0698853 0.03 413.4193115 0.03 415.3396301 0.04 419.0607300 0.03 421.4414978 0.05 429.2380371 0.29 430.7276917 0.06 431.3360291 0.12 432.3056946 0.03 438.0332031 0.06 439.0028381 0.04 440.0808716 0.06 442.9284973 0.03 456.3841553 0.04 457.1821289 0.20 457.8039856 0.08 460.1415405 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 470.76 Annotation Unknow Peak:m/z Relative Intensity 175.3576965 0.04 276.9846191 0.68 287.0132446 0.07 292.8457031 0.75 294.8370667 1.82 296.9510498 1.38 298.4118652 0.08 302.9709167 5.61 308.8643188 0.99 310.8843384 0.09 333.1480103 3.31 334.1400757 3.72 335.1480103 1.05 365.7258606 0.23 380.4976501 0.05 383.0658875 0.39 384.1330566 0.10 385.0724182 0.09 386.7145081 100.00 387.3412170 0.36 399.3398743 0.25 426.5555725 0.06 438.1289062 0.17 440.0311584 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 679.1298 Annotation Unknow Peak:m/z Relative Intensity 193.0274963 14.13 198.0509949 0.10 200.1678925 0.54 210.1770935 0.04 212.1184540 0.10 215.1839600 0.19 216.8926239 0.10 222.8869324 0.07 230.9969177 0.23 232.9736938 0.25 239.3043518 0.09 242.6843567 0.04 244.1094360 0.11 249.1093292 0.13 253.1820526 0.08 255.2806396 0.28 259.0781555 2.20 261.1392212 0.06 277.1970520 0.06 283.0535889 0.75 283.9566040 0.11 289.0171814 0.16 291.2979736 0.05 306.8839417 0.05 309.0895691 0.97 311.4058228 0.89 312.1636963 2.30 312.9829712 0.13 315.1692505 0.07 321.2238464 0.08 325.1607056 1.50 327.0251465 12.95 333.0783081 0.51 337.2814941 0.58 339.0084839 0.33 340.2028198 2.75 341.1624146 1.00 351.0711670 12.00 351.6879883 0.31 353.3063965 0.28 353.9793091 0.64 366.8542480 0.32 369.1760864 3.45 377.2635498 0.17 380.4526367 0.06 395.0762939 0.91 397.3292847 0.09 408.3866577 0.09 423.2068481 3.11 471.4301758 0.05 485.1764526 100.00 503.0354614 0.57 515.2286987 0.03 570.0957642 0.26 581.2433472 0.10 621.5537720 0.38 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 331.4841 Annotation Unknow Peak:m/z Relative Intensity 108.8431091 0.08 118.2717743 0.59 118.8951569 0.08 119.5390244 0.07 124.7621002 0.04 125.8972931 0.05 127.2491989 0.06 135.8878479 0.07 138.0266724 0.06 153.0440369 1.41 154.3488464 0.05 155.1289978 0.30 157.7958679 0.03 174.0484772 0.16 184.0070496 0.45 200.8394318 0.36 201.9436646 0.09 228.6636047 0.45 236.1734009 0.09 236.9687195 0.05 239.5000916 0.08 246.7990417 0.48 259.6831970 0.23 265.2165527 0.07 272.5552063 0.43 281.0454712 0.06 283.3949585 1.22 286.4826660 0.16 290.7089844 0.21 292.9385986 0.66 297.1994019 0.28 298.7276001 0.68 300.9280090 0.16 301.7898560 0.59 306.5051270 8.38 307.2162170 0.61 309.8153687 1.43 310.5165405 0.06 316.0034790 33.41 316.6325378 22.21 317.3304138 1.71 318.2961731 0.34 319.5430298 0.10 320.2096558 0.17 320.9776001 0.53 322.3763733 17.13 323.1291504 4.19 324.2489014 0.21 325.7462158 5.67 326.6065063 0.17 327.6288147 0.12 329.5850220 0.33 344.2681274 0.26 388.8460999 0.59 393.9909363 0.28 395.7304688 0.77 397.0233459 13.82 397.9277649 1.11 402.8333435 1.61 403.4818420 0.49 404.2705383 0.41 407.4177551 0.26 408.9937439 0.39 410.6413879 0.57 411.7233887 1.81 412.6562805 0.25 415.2712097 0.07 417.2456970 1.20 421.2129517 0.23 423.6524963 0.41 424.5285339 7.43 425.4054871 0.78 426.2680359 0.70 427.3690491 0.32 429.2278748 0.50 430.3219604 1.14 431.1976013 1.22 433.8034058 0.10 434.5098572 0.10 437.4576721 1.41 438.4469604 7.16 439.1755981 2.64 439.7833862 0.30 443.8130493 0.42 444.6735535 0.18 445.9625549 0.08 447.2141418 12.74 447.8176575 9.35 448.5482788 5.65 452.0652771 1.78 452.9356079 3.91 453.8577576 0.28 457.2030945 0.14 461.5667419 100.00 462.4340515 20.01 463.2767944 0.67 466.5386047 1.75 475.5791321 24.15 476.4922791 3.45 488.8975525 1.04 493.2115173 0.06 493.8609924 0.07 501.3838501 0.22 534.1459351 0.26 545.2559204 0.09 562.5657349 0.08 579.4214478 0.04 592.4522095 0.41 594.5507202 0.12 612.6243286 0.05 638.5729370 0.15 670.6024170 0.13 717.4905396 0.22 731.5371704 0.37 775.6664429 0.20 804.8053589 0.17 805.9833984 0.27 817.5648804 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 321.08 Annotation Lepidimoic acid Peak:m/z Relative Intensity 102.9482346 0.37 111.0412827 0.22 113.0532990 0.26 115.1015167 0.13 130.8586578 0.12 157.0539246 0.73 159.8046417 0.05 175.0092468 34.67 175.9402924 0.16 177.0999146 0.05 193.2093201 0.45 198.0368042 0.14 209.2877197 0.12 217.0352783 1.20 219.5102844 0.30 223.1201782 0.22 230.0121155 0.07 230.9868469 0.82 239.1345825 0.07 241.0972900 0.08 243.3930359 0.04 248.8760376 0.32 251.0733032 0.15 258.7637329 0.13 268.4035645 0.04 269.3859863 0.29 274.0985107 0.05 275.1253052 0.09 276.2647095 0.37 277.3463440 0.19 278.0852051 0.10 283.9127197 0.30 285.3066101 0.42 287.2166748 0.26 293.2911987 0.25 301.4591980 0.15 303.1002808 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 643.2744 Annotation Xylogranatin A Peak:m/z Relative Intensity 203.2716522 0.03 205.2832031 0.03 225.1803894 0.02 227.3815613 0.02 241.2434998 0.03 243.2787018 0.04 255.3464355 0.02 264.9326782 0.02 265.9522400 0.02 278.8095093 0.03 284.2840576 0.02 287.1736450 0.05 293.0016174 0.03 295.4631348 0.05 297.1532593 0.03 299.4860840 0.06 300.9095459 0.03 305.0634766 0.01 310.2573242 0.02 311.1184082 0.03 312.6702271 0.03 323.1067505 0.05 330.7761536 0.03 335.5541077 0.18 336.3342896 0.21 337.3479614 0.11 343.4844360 0.01 345.0806885 0.04 351.7035522 0.05 353.1419678 0.03 354.3916016 0.01 355.1115723 0.25 357.1924438 0.31 361.1907959 0.01 363.5852661 0.01 364.8243408 0.01 367.2360229 0.01 368.3062134 0.18 369.4816284 0.02 377.6359253 0.02 379.2291870 0.01 380.7253418 0.02 385.4979248 0.12 386.4141235 0.04 393.3131714 0.01 394.1682739 0.01 395.3461304 0.02 397.4044800 0.05 406.5847168 0.03 411.8441162 0.02 414.4527588 0.03 420.2032471 0.02 421.1477051 0.01 436.8002319 0.04 443.3245239 0.01 446.3121338 0.01 448.1763916 0.02 449.5751953 0.05 455.2797852 0.01 458.1588745 0.23 459.8701782 0.06 467.3576660 0.04 474.1152344 0.05 476.7471924 0.16 478.3580322 4.54 479.2443237 0.02 480.3018188 0.14 485.5338745 0.01 488.5604248 0.04 490.2814941 1.75 491.0011597 0.00 493.5696411 0.14 494.3014526 0.09 495.2915039 0.05 502.2479248 0.07 504.4092407 0.08 505.0769653 0.02 506.3847046 0.05 507.6040649 0.05 508.3611450 0.45 510.3822632 0.14 519.2897339 0.01 520.3212280 3.05 522.2520142 100.00 522.9447632 0.23 533.2994995 0.87 534.2433472 0.06 538.9562378 0.03 544.6647949 0.02 546.4607544 0.04 548.2003784 0.20 565.0938721 0.05 569.5784302 0.05 570.5597534 0.06 583.2744751 0.01 593.3557739 0.07 597.8242188 0.02 599.5197754 0.08 603.2961426 0.02 611.2708130 3.97 614.4199829 0.11 615.3312378 0.67 621.4730835 0.30 624.7285156 0.13 625.3482056 2.78 626.0568848 0.06 627.5956421 0.05 631.5971680 0.03 643.6870728 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 797.0695 Annotation Unknow Peak:m/z Relative Intensity 223.8749695 0.03 230.3153076 0.08 235.1751251 0.08 255.2769775 0.36 265.9925232 0.15 313.3728638 0.13 314.3067627 0.10 327.4459839 0.12 328.3281860 0.10 338.3965759 0.15 348.2757874 0.08 351.3206787 0.17 359.4291077 0.06 367.8632812 0.29 408.1138306 0.24 412.1166992 0.09 428.2306519 0.08 475.1942139 0.05 487.3818359 0.19 488.3954468 0.06 542.8893433 0.22 553.3679810 0.08 563.1312866 0.12 578.3798218 0.05 679.4842529 0.04 691.6832275 0.80 693.4440918 0.36 711.5811768 0.17 714.8549805 0.25 717.3255005 0.18 723.9399414 0.05 727.5985107 0.09 728.9592896 0.13 739.3470459 0.62 744.7272949 0.44 747.2167969 0.70 757.5728760 0.93 759.5145874 0.20 760.3555908 0.05 764.5912476 0.85 768.0905762 0.09 769.1321411 1.04 771.4312134 0.82 775.1337891 0.98 777.4634399 0.26 778.5396118 0.49 779.4948120 0.34 780.2563477 0.27 781.1300659 0.80 783.2356567 0.41 784.0213013 0.16 784.6387329 0.70 785.8296509 2.33 786.7147827 0.78 788.2488403 2.07 789.2335815 0.19 833.6721191 0.68 835.3906860 0.09 837.8120728 0.12 847.2754517 0.24 854.7928467 0.68 873.7414551 0.26 876.8767090 0.25 879.5761108 0.24 884.2080688 0.22 889.8007812 0.43 890.8546753 0.13 892.9364624 0.24 897.1858521 0.55 906.0277710 0.35 907.9782104 0.45 909.8826294 0.04 922.7499390 0.22 924.5073242 0.28 926.3591919 0.37 929.2361450 0.27 930.2874146 0.38 937.9668579 0.11 938.9268188 0.20 941.6571655 0.66 945.1156616 0.39 947.2888794 0.44 948.8240356 0.54 950.8640747 0.91 951.9105835 0.46 955.8126831 0.54 956.6709595 1.88 958.2915039 1.28 960.5004272 0.90 962.5944214 1.92 963.5432129 2.90 964.5078125 0.71 966.2570190 0.28 968.0197754 0.41 968.7338867 0.18 969.6282349 0.25 972.8009644 0.30 973.6764526 0.19 974.4838257 0.49 976.8428345 0.09 978.2590332 0.97 979.4271851 1.31 980.5372925 1.34 982.7567749 1.58 983.7241211 0.56 985.0270996 1.42 985.7142944 0.31 987.6635742 1.99 988.7754517 0.17 989.7597046 0.64 990.6644897 0.66 992.2190552 0.98 993.0205688 0.21 994.2204590 1.97 995.0239258 0.35 995.9748535 0.62 998.6054077 0.98 999.9021606 4.87 1000.7689820 0.64 1003.4600220 0.80 1005.7509160 3.99 1006.9588010 1.70 1008.3903810 1.39 1009.1982420 0.02 1010.5411990 0.39 1011.8204960 0.81 1012.6996460 2.11 1013.4631960 0.91 1014.1538090 2.27 1015.1611940 0.79 1015.8505250 0.54 1018.5829470 3.71 1019.4899290 6.05 1020.1709590 1.20 1021.3878780 0.24 1022.9548340 0.15 1024.9378660 36.26 1025.6910400 12.34 1026.5090330 0.15 1027.3875730 0.34 1029.0788570 0.16 1032.4746090 0.44 1033.6691890 0.37 1037.9444580 1.81 1038.8226320 0.75 1039.7031250 0.13 1045.1506350 0.76 1063.1711430 0.18 1091.5465090 0.08 1101.7019040 0.09 1115.4924320 0.11 1148.6971440 0.16 1160.4294430 0.35 1181.9506840 0.05 1194.7431640 0.79 1212.8140870 0.26 1241.1337890 0.24 1264.0290530 0.08 1271.4912110 0.08 1277.8646240 0.17 1280.7034910 0.17 1281.3583980 0.46 1283.7955320 0.12 1290.8685300 0.13 1304.1646730 0.16 1308.0792240 0.10 1312.0462650 0.13 1316.2320560 0.10 1318.1518550 0.14 1327.6456300 0.37 1332.5355220 0.18 1337.3616940 0.43 1362.3714600 0.16 1404.0916750 0.12 1407.1331790 0.05 1427.7886960 0.59 1434.2005620 0.37 1438.2938230 0.11 1464.4227290 0.09 1471.8753660 0.04 1637.4855960 0.09 1650.9670410 0.19 1717.5455320 0.10 1957.3426510 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 613.27 Annotation Orthosiphol U Peak:m/z Relative Intensity 260.0334473 0.03 265.2311096 0.03 345.5273438 0.07 353.6460571 0.04 407.4025269 0.04 417.0999146 0.01 421.2840576 0.02 446.3988037 0.96 455.3446655 0.07 458.9105835 0.01 474.9144287 0.11 476.2507935 0.06 479.1331177 0.03 490.0783691 0.06 503.4532471 0.05 517.4890137 0.03 525.4075317 0.04 533.7719727 0.04 551.4205322 0.10 552.7604370 0.12 563.4448853 0.03 567.4872437 0.04 569.2920532 100.00 569.9350586 0.58 575.4368896 0.09 577.3684692 0.03 580.4646606 0.08 581.6647339 0.09 595.2964478 1.54 598.6487427 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1276.06 Annotation Unknow Peak:m/z Relative Intensity 381.6905823 0.04 425.3904419 0.15 439.4516602 0.41 456.4671631 0.06 483.3107300 0.22 501.4804382 2.15 543.5064697 0.23 561.3878174 0.10 639.1956787 0.16 689.5413208 0.13 776.0667725 0.17 799.7013550 0.06 821.5337524 0.12 889.6992188 0.28 905.4711914 0.14 907.4396973 0.34 925.5589600 2.93 967.4956055 100.00 968.5175781 1.82 969.7961426 0.19 1107.6645510 0.05 1143.5598140 0.14 1145.6430660 0.80 1213.3149410 0.22 1231.3906250 0.16 1233.4981690 0.25 1257.5870360 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 583.2534 Annotation Biliverdin Peak:m/z Relative Intensity 167.1927338 0.07 177.2041779 0.31 182.2407532 0.26 182.8633118 0.07 184.1691284 0.07 184.9038239 0.05 185.8987732 0.08 191.0692596 0.04 192.0447235 0.10 193.1431885 0.12 195.0001831 0.37 199.1129913 0.45 203.0596008 0.07 204.8801270 0.22 209.1450653 2.38 210.1653442 0.52 211.3457336 0.35 212.2005463 0.30 215.1292877 0.06 222.1747437 0.09 223.2018585 0.31 223.9164734 0.30 225.1360474 0.40 226.2599487 0.17 227.1756287 0.42 228.3165588 0.07 228.9319458 0.24 230.9153748 0.07 233.2131348 0.06 236.1033325 0.09 237.1898956 2.72 238.2204132 0.74 239.3475952 0.44 240.0022736 0.05 241.2817078 0.97 242.9889221 0.29 246.4034424 0.09 247.2149353 0.11 249.0790100 0.02 249.9628906 0.10 251.3575745 0.34 252.1394348 0.54 253.2106323 2.16 254.1011810 0.96 255.2507324 0.32 256.1004944 0.17 260.1401367 0.12 262.9499817 0.06 267.2550354 0.24 268.3011780 0.72 269.2579956 3.47 270.1346436 0.76 271.2557373 0.86 271.9450684 0.20 273.1708984 0.05 274.1319885 0.13 275.2318726 1.07 277.1773071 0.41 279.3421631 0.37 281.0059814 0.11 282.2367554 0.64 283.4199219 0.25 284.1503296 1.25 285.3649597 0.52 286.2648926 0.73 287.3597412 0.81 288.5599670 0.05 293.2082214 0.11 295.1619263 0.15 297.1900024 100.00 298.2046509 2.28 299.2825317 10.15 300.1796265 1.08 301.3272705 0.12 303.1014099 0.07 304.2770081 0.21 307.2059937 0.07 308.3053589 0.10 309.3098145 0.65 310.0574951 0.14 311.1936646 0.31 312.9049683 0.35 316.3395386 0.13 317.1003418 0.15 320.2302856 0.24 322.3413086 0.23 323.0420532 0.05 325.4125366 0.78 327.2570801 0.18 329.3890991 0.05 333.2893677 0.35 334.4968262 0.07 335.2957153 0.22 342.2802124 0.05 343.3654175 0.29 350.1003418 0.10 351.1483765 0.18 352.5447388 0.12 353.1973267 0.24 354.9667969 0.13 358.4578857 0.08 367.1342163 0.53 370.2589111 0.58 372.7373657 0.37 374.2150879 0.78 375.5556641 0.05 380.0069580 0.68 385.3596802 0.65 386.2903442 0.07 388.2398682 0.24 389.3534546 0.04 393.2550049 0.39 394.1705933 0.07 395.3141479 0.38 396.2308350 0.11 400.3619995 0.22 402.5935059 0.59 404.3070679 0.73 410.7630615 0.16 411.5135498 0.23 415.0415649 0.11 416.2807007 0.23 417.4600830 0.56 418.2492676 0.39 419.8280029 0.10 421.0921631 0.16 424.8328857 0.04 425.5552368 0.15 428.4936523 0.34 430.3083496 3.13 432.3568726 0.04 437.3061523 0.24 442.1743774 0.26 444.1104736 0.68 446.3157959 0.77 447.2986450 0.13 448.4044189 0.37 450.3931885 0.61 451.1829834 0.30 452.4915771 0.24 454.1098022 0.19 457.0906372 0.14 458.3541260 0.23 459.5563354 0.33 460.3629150 0.49 461.1729736 0.27 462.2453613 0.50 464.5179443 0.34 465.2941895 1.44 466.1453247 0.19 470.4530029 0.05 476.0704346 0.59 479.3596191 0.84 480.4609375 0.40 482.2064209 0.15 483.2397461 0.25 486.7211914 0.16 487.8297119 0.13 490.4911499 0.07 491.4246216 0.19 493.3200073 0.23 495.2525024 0.48 504.6355591 0.07 505.8541260 0.56 506.7597656 0.22 509.2285767 1.16 510.3626099 1.50 511.3111572 0.29 520.2122192 0.05 521.0457153 0.11 522.4548950 0.42 523.3848267 3.05 524.3286743 1.41 527.7058716 0.10 529.4697876 0.22 535.0933838 0.15 537.3212280 0.76 538.3881226 2.45 539.4237671 5.08 540.3988037 2.50 541.1365967 0.83 544.6490479 0.09 548.2518921 0.71 552.2774048 0.20 553.7487793 0.29 555.3904419 2.98 556.4765625 0.06 564.7315674 2.04 565.4041748 19.92 566.3196411 7.16 567.4221802 0.92 568.4406128 0.64 574.2287598 0.11 583.2603760 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 343.0461 Annotation Wharangin Peak:m/z Relative Intensity 96.8645554 0.03 139.0259094 0.01 140.9000702 0.02 179.0682068 0.09 188.8474121 0.03 197.2391510 0.02 198.2098083 0.02 205.1622314 0.08 207.0737610 0.11 226.7460022 0.01 228.2045288 0.06 228.9856873 0.01 265.1794739 0.03 268.9309692 0.03 275.2209473 0.05 283.0162964 0.02 285.1493530 0.04 296.4183655 0.08 299.2217407 0.09 300.1351929 0.09 302.0983276 0.04 311.3749695 0.01 313.0754395 0.09 313.9940796 0.11 324.3252563 0.07 325.4563293 0.16 328.0697021 100.00 329.1975098 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 565.0472 Annotation UDP-D-galactose(2-) Peak:m/z Relative Intensity 158.8381500 0.06 192.9189148 0.02 210.9528503 2.18 241.0458832 1.56 272.9111938 0.39 280.1301270 1.33 291.2218628 0.04 305.0992432 0.35 311.1054688 0.17 321.1202393 0.58 323.0705566 100.00 324.0178223 0.02 385.0374756 2.41 390.8526611 0.03 396.8031006 0.11 403.1426392 3.63 428.8608398 3.90 429.9056396 0.07 445.4188843 0.03 467.1169434 0.44 478.7107544 1.37 480.7808228 3.02 518.8286133 0.02 522.6012573 0.04 547.2631836 0.58 557.2671509 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 499.2192 Annotation Unknow Peak:m/z Relative Intensity 191.8713684 0.37 207.3652802 0.23 210.8369446 0.24 285.2848816 0.16 315.5716553 0.87 353.4743652 0.25 373.3406372 0.37 395.2710571 7.22 407.3594360 0.10 419.4669495 0.17 425.4326477 0.22 431.1088562 0.32 438.5987549 0.66 447.8894958 0.14 452.3302002 0.17 453.5004578 0.30 454.5941467 0.21 463.1015930 0.23 471.7632446 0.30 476.0634460 6.39 631.2550659 0.48 689.4975586 0.07 731.3207397 0.36 791.3087158 5.71 791.9359741 0.18 793.4244385 0.12 909.2781372 1.58 953.3375854 100.00 954.0975952 0.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 633.2653 Annotation Unknow Peak:m/z Relative Intensity 184.9654541 0.13 199.1740112 0.91 200.1402283 0.22 202.0669556 0.06 209.0939331 0.05 213.3219299 0.20 226.1261902 0.21 227.1238556 1.93 228.1806335 0.06 235.0097809 1.13 236.0040588 0.19 244.3024902 0.22 248.1482849 0.14 249.1690979 0.53 253.5498657 0.16 263.1992493 2.56 264.2359619 0.19 265.1588745 0.10 278.7350159 0.04 281.4624634 0.05 282.2799683 0.15 282.9310608 0.08 287.1466370 0.03 291.1601257 0.09 297.1605835 0.12 298.4895020 0.14 301.2195740 0.02 308.5365601 0.09 310.3865967 0.13 313.4544678 0.05 326.2403564 0.33 327.8190308 0.15 336.6937866 0.19 349.4712524 0.27 351.5170288 0.02 355.1361694 0.06 363.1027222 0.10 364.3049316 0.03 368.3446045 0.21 375.9829102 0.06 379.4627686 0.04 382.6702271 0.23 383.2900391 0.13 384.2330933 0.12 386.7814941 0.18 394.2276611 0.11 395.0125732 0.11 397.9221802 0.17 400.5042725 0.75 402.3369141 0.04 430.0076294 0.02 432.6636353 0.24 452.6297607 0.28 453.3584595 0.08 455.3441162 1.20 460.1262207 0.10 462.4999390 0.23 465.0958252 0.04 471.2890015 0.14 478.8060303 0.07 479.5117188 0.02 492.3286133 0.17 494.3867188 0.08 497.3535156 8.28 498.4088135 2.99 499.2906494 0.39 519.2158203 0.07 523.6197510 0.10 538.5619507 0.31 545.1754150 0.10 546.5565796 0.04 554.1027222 0.06 558.5414429 0.23 559.6633301 0.71 561.9207153 0.55 566.7197876 0.41 574.2420654 0.05 575.5811768 0.18 576.3679199 0.25 577.3568726 0.32 583.2393799 0.35 585.0125122 0.55 587.7710571 0.31 588.7577515 0.37 592.1848755 0.12 593.3955688 0.31 594.4611206 0.09 596.4018555 1.40 597.3731689 0.55 598.4862671 0.10 599.3305054 0.30 600.8999634 0.76 604.1424561 0.75 605.0879517 0.55 606.4523315 0.07 607.4122925 0.14 610.7941895 0.33 611.8639526 0.12 612.7730103 0.11 614.2433472 0.51 616.5718384 0.08 617.4640503 0.19 620.5371704 0.71 621.4557495 0.11 622.2788696 0.60 623.0474243 0.63 624.5921021 3.52 625.3423462 0.05 626.4693604 0.14 627.3031616 0.07 629.6570435 0.09 632.1240845 0.04 640.1259766 0.07 641.4509888 0.34 642.6282349 1.44 643.5978394 0.65 645.8929443 0.45 648.1182861 0.10 649.1987305 0.56 650.2307129 0.27 651.8907471 0.78 653.9437866 0.77 656.5184326 1.06 657.1833496 0.23 658.8567505 1.05 660.6705933 9.23 661.4713135 0.50 663.4185181 3.82 664.2696533 0.71 664.9861450 0.04 665.8480835 0.72 667.4558716 7.58 668.2194214 7.73 669.2830200 0.66 670.9735718 0.06 673.1458130 0.15 674.1396484 0.10 676.3057251 0.08 678.1031494 0.78 679.6543579 0.09 680.3026123 0.43 683.1425781 0.56 685.5397949 0.05 686.2027588 0.51 687.1404419 0.11 688.4395142 0.22 689.4738770 0.84 690.3037109 0.08 692.0549316 1.41 692.6921997 0.05 694.4861450 0.46 695.1176147 0.63 695.7551880 0.46 697.1311646 0.05 699.0891724 2.14 700.0846558 0.30 701.0564575 0.12 701.7048950 0.45 703.4511108 0.31 704.0685425 0.74 706.3063354 2.24 709.4502563 1.02 710.4970093 4.62 711.4235229 1.09 712.3356323 0.13 713.9916382 0.17 715.1615601 0.89 716.2472534 1.11 717.5275269 1.13 719.4092407 2.02 720.3007202 0.70 721.3342896 0.89 722.2548828 1.11 723.3049927 1.00 724.1112671 0.64 726.4693604 9.64 727.8148804 2.17 728.8049927 1.16 730.8283081 20.48 731.5636597 4.53 732.4603882 0.94 733.5494995 0.72 735.4100952 100.00 736.8218994 2.73 737.7994995 0.83 738.8828735 0.84 739.8348999 1.08 741.1143799 1.05 742.0213623 0.77 743.1190796 0.44 743.7382812 0.52 745.7169800 1.44 746.8286133 0.65 747.6096802 0.09 748.3696289 1.47 749.1196899 0.56 750.0733643 0.05 750.8762207 0.67 751.5651245 0.10 752.8917847 0.16 754.5120850 1.61 755.3738403 3.97 756.2473755 1.15 757.2604370 0.80 758.9951782 3.47 759.8516846 1.47 760.8510132 0.06 763.2413940 8.46 763.9753418 12.03 765.4503174 1.42 767.1347046 0.48 767.8388062 0.64 768.5292358 0.18 769.6083984 1.36 770.5643311 1.54 771.9371948 1.21 772.8944702 0.06 774.0689697 9.00 774.9605103 1.78 775.8452759 1.89 776.6215210 0.18 777.5424194 0.51 779.6265869 0.23 781.3200684 3.17 782.5343018 0.29 783.4494019 0.15 784.3912354 0.19 786.0585938 0.30 789.0586548 0.15 790.7343140 0.28 791.4740601 0.52 793.3027344 0.10 793.9194946 0.14 794.5621948 0.19 797.7094727 0.02 799.5376587 0.50 800.3185425 0.22 801.1928101 0.18 801.9921265 0.17 804.4534302 0.62 805.1831055 2.66 806.1668701 0.87 808.3069458 1.37 809.1441040 0.56 810.0676880 0.18 811.1111450 0.36 812.2669678 0.47 814.4639282 8.47 815.4556885 2.07 817.0562134 1.14 818.5391846 1.03 820.0771484 1.15 821.3486328 0.26 823.0175171 1.52 823.8190308 0.76 824.9754028 0.03 828.0786133 0.23 829.3078003 0.53 831.1486816 0.11 832.5164185 0.20 833.1566162 0.36 834.6718140 0.27 835.5552368 0.05 837.1057739 0.08 840.6917114 0.26 841.9288330 1.60 842.8549194 0.22 843.5662231 0.28 844.7143555 0.51 846.2691040 0.86 847.3869019 2.83 848.3295898 0.88 849.1467285 0.15 850.5435181 0.36 851.2245483 2.15 852.3014526 2.29 853.2231445 1.01 853.8759766 0.11 854.6327515 0.24 856.1596680 0.88 856.8674927 3.23 857.6008301 0.67 858.2345581 1.01 859.7077637 1.69 860.4086304 1.53 861.8114624 0.30 864.0934448 0.57 865.0595703 0.72 866.5774536 1.81 868.0046997 0.22 872.1452026 0.12 875.2245483 2.54 876.0097656 1.17 876.7077637 0.36 882.7643433 0.69 883.5275879 2.27 884.7672729 0.33 886.3107300 0.98 887.2836914 1.60 889.5961304 1.81 890.6210327 1.78 892.4750366 8.92 893.4021606 4.03 897.3540649 0.60 898.7271118 1.27 899.4262695 0.27 901.0967407 0.15 902.0593872 0.19 906.9229126 0.76 908.2457886 0.77 914.8150024 0.22 915.4240723 0.17 916.8706055 0.29 918.7001343 0.26 919.9758301 0.58 920.9157104 0.82 921.9907837 0.57 923.2307739 0.27 923.8457031 0.45 925.2357788 1.24 926.0099487 2.27 926.7575684 0.13 929.9004517 0.87 930.8638306 2.60 931.6412964 3.54 932.4562988 1.61 935.1342773 0.46 936.6835327 0.28 939.4379272 0.11 940.7568970 1.09 941.8245239 0.85 943.7731323 0.49 945.3571777 0.42 946.6547241 2.20 947.3340454 3.01 948.2398071 0.81 950.7687988 0.42 951.4348755 0.26 956.1323853 0.58 957.8244019 0.16 959.3774414 0.42 960.3026733 0.04 963.4284668 0.86 965.7288208 0.54 969.2392578 0.28 970.7960815 0.18 971.6364136 0.15 973.5713501 0.04 974.6962891 0.44 976.6796875 0.19 977.5601196 0.15 978.9035034 0.35 979.6890259 0.87 980.8348999 0.10 982.3810425 0.12 983.1418457 0.43 989.7529297 0.37 991.6213989 0.17 994.1509399 0.10 998.1418457 0.03 1000.1430660 0.22 1001.7678830 0.05 1004.2553710 0.10 1013.6195680 0.76 1015.6592410 0.45 1020.9318850 0.17 1022.6391600 0.17 1024.4189450 0.15 1027.6101070 0.37 1029.4201660 0.17 1031.9228520 0.35 1044.4882810 0.39 1051.1280520 0.62 1054.2139890 0.16 1056.4584960 0.21 1058.1157230 0.16 1065.0551760 0.26 1066.4226070 0.13 1068.5610350 0.11 1070.2769780 0.11 1071.3850100 0.08 1077.9826660 0.36 1079.3681640 0.16 1085.3881840 0.11 1087.3127440 0.14 1088.0628660 0.34 1089.4935300 0.04 1091.8905030 0.21 1095.0977780 0.20 1096.0869140 0.08 1099.6618650 0.05 1100.9354250 0.18 1104.4229740 0.36 1108.4665530 0.02 1112.6297610 0.56 1114.7131350 0.10 1117.4676510 0.28 1119.7027590 0.14 1121.1385500 0.41 1122.1582030 0.16 1124.9765620 0.21 1129.3299560 0.14 1133.4970700 0.03 1134.1406250 0.35 1136.6922610 0.19 1139.8085940 0.19 1142.7861330 0.20 1144.3656010 0.14 1146.1896970 0.35 1149.0749510 0.57 1150.3690190 0.53 1153.7633060 0.09 1156.1749270 0.09 1158.5103760 0.15 1160.7918700 0.32 1164.5712890 0.09 1170.8382570 0.85 1172.2508540 0.22 1180.4621580 0.38 1181.6096190 0.28 1183.9172360 0.14 1186.8365480 0.33 1195.1553960 0.28 1205.2547610 0.37 1208.6202390 0.26 1209.6253660 0.10 1210.6497800 0.19 1211.7950440 0.10 1212.9271240 0.57 1217.7254640 0.16 1221.3599850 0.46 1222.5281980 0.45 1223.4838870 0.06 1231.5288090 0.11 1238.6710210 0.11 1240.2711180 0.19 1241.6617430 0.31 1245.7135010 0.11 1251.1773680 0.13 1252.7142330 0.10 1260.7275390 0.12 1262.0899660 0.53 1266.5509030 0.06 1267.8243410 0.31 1269.4506840 0.02 1271.3394780 0.25 1278.5468750 0.09 1279.2883300 0.04 1280.7270510 0.13 1282.0494380 0.07 1288.6833500 0.48 1289.6441650 0.04 1292.5826420 0.05 1310.0623780 0.07 1311.5863040 0.35 1314.1251220 0.13 1324.5296630 0.06 1343.4781490 0.06 1363.3928220 0.10 1364.4185790 0.10 1380.5616460 0.07 1391.1607670 0.24 1406.5521240 0.02 1408.5729980 0.07 1410.3748780 0.07 1412.4307860 0.03 1416.4622800 0.06 1439.5394290 0.04 1444.9027100 0.24 1486.2584230 0.05 1487.5700680 0.16 1495.5611570 0.03 1521.7105710 0.03 1525.5985110 0.12 1531.5379640 0.10 1532.8092040 0.09 1553.7833250 0.05 1566.3924560 0.23 1578.6158450 0.09 1584.7969970 0.14 1601.8234860 0.18 1602.8477780 0.10 1611.7186280 0.06 1623.5432130 0.10 1626.1903080 0.04 1634.6525880 0.18 1661.4328610 0.02 1663.8807370 0.07 1681.5026860 0.14 1704.3355710 0.09 1705.7854000 0.04 1721.0750730 0.06 1731.7326660 0.08 1732.5788570 0.24 1739.4063720 0.06 1753.7082520 0.03 1766.8405760 0.04 1767.6628420 0.05 1778.3800050 0.06 1779.9066160 0.07 1781.6844480 0.03 1782.6813960 0.09 1798.6633300 0.09 1802.0281980 0.06 1803.1291500 0.08 1836.2214360 0.13 1845.6755370 0.13 1848.4769290 0.05 1852.9963380 0.19 1860.7667240 0.15 1870.4732670 0.16 1871.8931880 0.13 1883.6693120 0.08 1901.2459720 0.03 1917.4616700 0.28 1920.6820070 0.22 1980.4362790 0.04 1991.3934330 0.05 1996.5699460 0.05 1998.0373540 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1279.5608 Annotation Unknow Peak:m/z Relative Intensity 377.4308777 0.17 393.4014282 0.10 407.7358704 0.32 419.6345215 0.11 433.3578796 0.21 435.2040100 0.24 437.3351135 0.35 441.3760376 0.18 455.4143372 0.27 475.6489258 0.20 481.3327942 0.60 493.5410767 0.36 499.4262695 5.02 517.3072510 3.49 541.2557373 0.14 559.6414795 0.13 601.5070801 0.06 603.7312012 0.09 614.3530273 0.08 619.7235107 0.15 645.5922852 0.32 654.3455811 0.73 655.1732178 0.85 693.6730957 0.05 705.3117065 0.22 726.3691406 0.13 783.6292725 0.71 784.2735596 0.71 785.1998291 0.24 787.4572144 0.72 789.5187988 0.17 801.4905396 0.63 802.3007202 0.17 803.2123413 0.47 807.4541016 0.10 824.3392334 0.16 825.5270386 3.26 867.7309570 0.42 881.1905518 0.19 942.5120850 0.29 964.9873047 0.16 971.5197754 100.00 972.4367676 0.81 973.4528809 0.25 983.5135498 0.48 995.1788330 0.11 1072.3076170 0.18 1098.5700680 0.61 1099.6549070 0.24 1102.9931640 0.77 1103.7180180 0.23 1116.5415040 0.11 1117.2536620 0.17 1119.5899660 0.06 1129.5842290 0.07 1134.8411870 0.19 1141.3914790 0.09 1147.5935060 4.06 1148.6065670 1.20 1159.1444090 0.36 1175.5704350 0.17 1180.5234380 0.14 1189.4012450 0.06 1198.4711910 0.19 1203.8164060 1.35 1216.5456540 0.14 1228.9576420 0.20 1234.5957030 0.10 1247.4635010 1.15 1260.8447270 1.07 1261.7192380 0.41 1264.5476070 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1291.5275 Annotation Unknow Peak:m/z Relative Intensity 425.3353882 0.41 439.6452637 0.14 516.5112305 0.13 587.5627441 0.23 655.5429688 0.12 673.5143433 1.40 677.7065430 1.35 717.5931396 0.71 735.5578613 0.07 793.2692871 1.12 793.9326782 0.07 837.3288574 1.09 893.7253418 0.58 909.5805664 0.07 937.4222412 0.15 955.0477295 0.80 955.6640625 20.13 983.6785889 1.81 984.6166992 0.28 997.9096680 0.31 1034.3712160 0.15 1051.5458980 0.14 1060.1333010 0.07 1069.6381840 5.97 1109.5209960 0.89 1113.5678710 4.83 1114.6873780 0.43 1115.7479250 0.74 1127.4447020 6.14 1130.9527590 1.01 1131.5961910 50.39 1159.6086430 1.25 1160.5427250 3.27 1161.9021000 0.79 1171.4948730 20.53 1187.5811770 5.89 1189.5538330 41.12 1215.8857420 0.18 1219.3862300 0.81 1229.4990230 2.29 1230.7647710 0.08 1231.7917480 2.16 1232.5607910 4.36 1233.2369380 0.44 1245.6450200 1.35 1247.5517580 100.00 1273.4315190 13.84 1274.0869140 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1261.55 Annotation Unknow Peak:m/z Relative Intensity 501.4175415 0.30 677.3737793 0.93 705.6234131 0.15 755.4180908 0.06 771.6108398 0.07 801.2312012 0.08 802.4495239 0.44 807.5390015 0.21 809.3472290 0.13 894.0167236 0.17 955.6157227 13.32 1048.0852050 0.15 1069.5695800 0.34 1092.1984860 0.03 1101.4970700 0.04 1106.8962400 0.37 1129.3867190 0.15 1131.4483640 100.00 1132.1689450 0.07 1155.1401370 0.23 1159.7779540 0.28 1194.5090330 0.14 1195.6704100 0.38 1201.7307130 0.18 1217.2797850 0.07 1228.9565430 0.15 1233.4318850 0.10 1234.2268070 0.07 1241.6284180 0.24 1242.9411620 0.90 1243.5766600 4.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 681.1459 Annotation Unknow Peak:m/z Relative Intensity 193.2030792 0.28 199.1937103 0.02 199.9327393 0.01 202.1731873 0.04 208.2392578 0.00 215.0944824 0.04 216.2228394 0.03 217.0231018 0.09 221.1748505 0.01 227.4099884 0.00 231.2462463 0.04 232.7897034 0.04 233.4751892 0.01 235.3408203 0.01 242.9952698 0.01 244.2412415 0.02 246.1110077 0.01 256.1932678 0.01 257.1350708 0.01 259.1225891 0.54 260.2608032 0.06 260.9446106 0.01 267.4772644 0.00 271.1083374 0.05 272.1497498 0.01 274.1847534 0.01 275.0492859 0.01 279.1118164 0.01 283.1794434 0.04 284.4712524 0.02 289.2315369 0.04 291.2418518 0.05 293.5120544 0.00 296.4966431 0.03 299.0710449 0.22 299.8377380 0.05 306.9957886 0.01 308.2759399 0.01 311.1366577 0.15 312.3639526 0.07 313.2839355 0.08 314.2334595 0.75 315.2097473 0.19 321.1850586 0.06 324.1985474 0.01 327.2755737 0.12 328.1972046 0.17 329.1869507 2.63 330.2591553 0.27 331.2481079 0.01 333.2563477 0.02 337.1716919 0.05 338.1046753 0.01 339.0927124 0.02 340.1270752 0.02 341.3453369 0.09 342.1387939 0.44 343.2157593 0.63 344.1315308 0.04 349.9252930 0.01 351.1916504 3.57 352.2137451 0.36 353.1430054 0.00 355.1752319 0.15 356.1811523 0.07 357.4533691 0.02 360.4044189 0.01 367.1632080 0.00 368.1302490 0.00 371.2364502 0.80 372.4090576 0.14 377.2446899 0.01 381.3504028 0.02 383.2718506 0.03 389.6006470 0.00 397.2383423 0.19 398.5022583 0.08 399.3027344 0.01 400.4846191 0.00 412.9646606 0.06 425.2232666 0.65 426.2761841 0.12 443.2120361 0.14 444.2060547 0.02 455.2280884 0.01 472.2863770 0.11 473.1182251 0.01 487.1735840 100.00 488.1531372 14.84 488.7586670 0.04 489.4945679 0.01 505.0313721 0.05 507.0918579 0.01 516.5866699 0.02 517.2932739 0.06 518.6011353 0.04 519.3757935 0.01 520.4543457 0.00 528.1162720 0.01 532.4436646 0.02 545.2705688 0.01 556.6636353 0.01 558.2897339 0.08 559.3677368 0.06 565.4660645 0.02 585.7142334 0.03 586.4097290 0.04 594.4320068 0.02 601.5069580 0.02 604.1827393 0.01 607.4457397 0.00 619.5964966 0.01 637.5270386 0.02 638.3914795 0.04 645.3712769 0.02 649.2680054 0.18 650.2803955 0.06 652.2953491 0.01 663.5294800 0.02 664.2048340 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1233.5552 Annotation Unknow Peak:m/z Relative Intensity 421.3417664 0.08 437.7546387 0.07 439.5687561 0.73 483.5585327 0.33 501.4611206 3.49 543.5347900 0.10 803.0819092 0.13 809.5291748 1.65 821.5087891 0.28 907.4237061 0.12 925.5488281 100.00 926.3720703 1.20 1024.5642090 0.17 1065.3474120 1.28 1070.9978030 0.31 1096.4130860 0.15 1101.8422850 2.53 1102.6307370 6.36 1103.5676270 1.45 1189.8181150 0.14 1214.3144530 0.19 1215.2225340 0.47 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1147.5178 Annotation Unknow Peak:m/z Relative Intensity 345.2878113 0.12 421.4943848 0.07 439.4062195 0.64 483.5153809 0.06 501.3865356 1.45 502.6026001 0.48 528.2222290 0.24 543.4292603 0.15 567.7678223 0.40 615.2165527 0.08 677.4727783 2.01 678.4171753 0.53 749.7482910 0.09 783.8048706 0.22 786.8287354 0.13 789.1585693 0.07 802.4614258 0.11 809.5723877 0.62 852.3201904 0.12 864.4982910 0.36 971.5389404 100.00 972.5209961 48.67 973.1741943 0.29 988.2664795 0.10 1014.6474610 0.08 1027.6147460 0.23 1045.4614260 0.30 1046.4509280 0.05 1068.7406010 0.10 1085.4138180 1.04 1086.5991210 0.94 1087.4252930 0.29 1103.7534180 1.01 1104.6986080 0.65 1116.3928220 0.09 1129.5898440 0.87 1130.7581790 0.37 1133.3175050 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1111.3199 Annotation Unknow Peak:m/z Relative Intensity 323.1598206 44.39 324.2165527 0.91 680.5109863 0.09 787.2662354 100.00 788.3900146 4.45 789.0806274 0.11 851.0635986 0.05 928.3574219 0.14 949.0272217 0.11 963.0604248 0.06 1020.9855960 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 386.1071 Annotation Zeanoside C Peak:m/z Relative Intensity 112.2584381 0.05 118.9755859 0.87 122.9616547 0.81 132.9502411 0.06 133.9074860 0.03 136.0448914 4.27 146.9965363 2.15 150.1282959 0.07 156.1846161 0.02 165.0468750 11.90 175.0859070 0.02 182.0141907 100.00 182.9465485 0.11 185.8826904 0.01 187.1292572 0.02 197.2458649 0.01 203.0826721 0.09 205.2265320 0.06 219.1730652 0.09 219.8094177 0.02 221.8601685 0.06 223.1100464 0.03 224.0840454 0.14 232.9965210 0.08 236.8354492 0.02 250.2799988 0.02 267.2650757 0.03 267.9448547 0.02 270.3726501 0.03 279.0266418 0.04 281.8634949 0.03 283.2178955 0.08 287.9538879 0.11 292.3895874 0.02 298.5001221 0.11 303.8966980 0.07 310.2925415 0.05 310.9284973 0.02 321.3581543 0.01 325.5386353 0.02 327.1619568 0.04 328.1123962 0.08 329.0137634 0.11 339.4652100 0.03 340.3661804 0.03 341.0161438 0.08 344.4505310 0.03 350.2303162 0.02 367.2957458 0.07 368.0390930 0.05 369.6025696 0.01 376.6875610 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 616.67 Annotation Unknow Peak:m/z Relative Intensity 196.9738159 0.07 206.8940430 0.18 212.9406891 0.76 214.7971497 0.16 215.9900208 0.05 250.7801361 0.08 290.6818848 0.08 291.8839722 0.04 296.6714172 0.04 308.3632202 0.17 309.5409241 0.10 312.8662109 0.05 320.8389282 0.07 326.2190552 0.18 335.6896362 0.05 338.9415283 0.03 342.1344604 0.09 353.1691284 0.06 364.8698730 1.15 380.8078003 2.33 424.2501831 0.04 446.2721558 0.23 448.7630615 9.95 464.5322876 6.10 465.2556152 0.02 480.7232056 0.10 483.9973755 0.13 487.4920654 0.08 516.0870972 0.14 518.1877441 0.20 528.8597412 0.03 530.7064819 0.54 532.5873413 100.00 533.2929688 0.47 538.7617188 0.03 542.8851929 0.13 546.8718872 0.09 548.6419678 2.35 549.2678223 0.04 551.9412231 0.20 568.7500610 0.04 569.7476196 0.31 570.5685425 0.17 572.7156982 0.08 574.5739136 0.40 578.1904297 0.10 586.7453003 0.02 593.3971558 0.53 597.7841187 0.13 599.2755737 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1293.5786 Annotation Unknow Peak:m/z Relative Intensity 379.2972412 0.09 425.3585205 0.17 435.3316650 0.04 439.6741333 0.14 455.4381409 0.66 456.5069885 0.34 483.4913330 0.70 501.4839783 3.60 515.4992676 0.08 543.0076904 0.22 569.4722900 0.13 599.1118164 0.10 629.7762451 0.65 677.5478516 0.13 689.4020996 0.06 777.5676270 0.20 821.3168945 0.08 839.5192871 3.54 937.3769531 0.15 955.5926514 100.00 956.5888672 0.20 968.2620850 0.06 1051.6188960 0.13 1095.7478030 0.32 1114.6796880 0.08 1117.6058350 2.37 1127.8175050 0.08 1131.4979250 0.23 1173.1678470 0.31 1189.6855470 0.14 1190.8544920 0.18 1206.2194820 0.14 1231.6403810 0.07 1248.5356450 0.07 1249.7258300 0.13 1260.2180180 0.09 1275.0726320 0.90 1276.0217290 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 725.1355 Annotation Trifuhalol A octaacetate Peak:m/z Relative Intensity 205.2562561 0.08 206.1737671 0.03 208.9913788 0.05 212.1683655 0.03 215.0922852 0.06 217.2394104 0.04 223.1111450 0.56 225.0554810 0.03 226.2417297 0.02 227.9436035 0.06 237.0947113 0.04 239.2017670 0.05 242.3072205 0.04 243.2668610 0.18 253.1441345 0.06 254.1826935 0.08 255.2505798 0.26 256.2286072 0.13 271.0938416 0.38 272.0731201 0.03 275.2663574 0.02 280.1756592 0.03 281.0796509 0.40 283.0751953 0.69 284.3964233 0.06 285.0268555 0.02 289.0988464 0.15 290.3411255 0.06 297.1941223 0.13 299.0423584 1.68 300.2116089 0.66 301.1162109 0.05 313.3178406 0.02 314.8701172 0.04 316.4353638 0.02 325.2915649 0.04 327.4934082 1.30 328.2066040 17.64 329.1487427 2.70 336.7163086 0.02 339.7939453 0.01 340.9600830 0.02 343.1137695 100.00 344.2116089 10.80 345.1205444 0.02 351.2103271 0.02 355.3257446 0.02 357.6027832 0.10 363.4200439 0.02 367.2373047 0.11 368.3123779 0.07 370.1043701 0.03 373.3167114 0.05 380.4900513 0.07 381.1961060 0.93 382.2170410 0.02 385.1598511 0.06 386.3319702 0.02 387.3544312 0.09 394.2424927 0.04 395.2001953 0.46 396.3586426 0.19 397.3764038 0.10 398.4572754 0.01 401.1337891 0.14 407.4118042 0.03 409.2975464 0.13 410.2354736 0.03 411.2148438 0.09 413.1167603 0.09 421.2615967 0.02 424.1526489 0.07 425.2846680 0.47 425.9780273 0.02 439.1391602 1.30 440.2759399 0.26 442.2482910 0.11 442.9468994 0.04 450.5112915 0.05 457.2036743 4.05 458.2612915 0.42 458.9545898 0.02 464.9541016 0.17 475.2326050 0.02 483.1166382 0.12 484.0819092 0.04 501.1527710 54.52 502.2001953 8.14 516.4853516 0.02 519.0912476 28.26 520.1930542 3.82 522.1909180 0.03 532.9394531 0.03 548.6690063 0.06 549.2984619 0.20 550.2254028 0.10 563.4310913 0.04 606.4756470 0.01 609.2423706 0.03 614.1731567 0.02 645.5696411 0.01 646.2904053 0.01 650.4151001 0.02 671.6890869 0.03 679.2595215 0.03 681.3585205 0.26 682.2081299 0.02 682.8164673 0.04 687.4780884 0.06 688.2072754 0.01 694.2372437 0.07 707.1205444 0.02 708.6147461 0.03 709.2301636 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 796.2863 Annotation 2''-Adenylylgentamicin A Peak:m/z Relative Intensity 319.3242493 0.03 323.4096680 0.08 324.2071228 0.04 345.3814697 0.02 355.1630859 0.02 375.3990479 0.03 401.4100952 0.01 423.4525757 0.09 437.2551880 0.03 442.1569214 0.03 458.2110596 0.02 459.1853638 0.03 473.5303345 0.02 478.4437256 0.01 479.3225708 0.03 483.7108154 0.02 520.2708130 0.03 539.2246704 0.06 559.4567261 0.03 575.4954224 0.02 577.2711792 0.10 599.4465332 0.19 600.4748535 0.01 601.5752563 0.01 617.4256592 0.02 619.5247192 0.02 621.5022583 0.06 624.3679199 0.02 631.6035767 0.06 634.2312012 0.03 643.2935791 1.56 644.3656006 0.14 651.2821655 0.02 657.5762939 0.12 675.2828979 100.00 676.3834839 12.59 679.1209106 0.01 686.4761353 0.03 692.5739136 0.01 695.2052002 0.02 698.4618530 0.02 700.4438477 0.01 701.0789795 0.06 704.2727051 0.06 706.5962524 0.02 707.5148315 0.02 708.6281128 0.03 718.3598633 0.02 734.5869751 0.02 736.4249268 0.06 750.5214844 0.11 751.7143555 0.03 752.3717041 0.07 753.5245972 0.09 755.5518188 0.02 760.5193481 0.05 764.1499023 0.53 765.2542725 0.06 766.1445923 0.01 767.5151367 0.04 768.5175171 0.09 778.5423584 0.03 779.7390747 0.03 808.0952759 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 740.4624 Annotation Unknow Peak:m/z Relative Intensity 211.1812897 0.10 221.1156311 1.14 223.0652313 0.08 255.0518188 0.27 263.0544434 0.31 265.0595703 1.95 267.0577698 0.16 273.3666382 0.08 275.4525452 0.08 283.4985962 0.20 289.3907166 0.16 292.5592041 0.18 305.5126038 0.06 307.3244019 0.29 309.1406250 3.38 311.2173157 0.33 313.5392151 0.20 326.1201172 0.19 327.1574707 0.17 337.2221680 0.08 351.0323486 0.38 353.0675659 2.38 355.5026855 0.32 365.1141968 0.09 370.7898560 0.28 371.4206543 0.33 373.2638550 0.27 386.7899780 0.09 390.9882812 0.05 395.1932983 0.26 397.0878296 1.77 398.7976685 0.12 399.5480957 0.24 400.2921143 0.10 402.4280396 0.20 409.1019287 0.04 413.2802124 0.11 415.3386230 0.33 422.4078979 0.09 439.1602783 0.58 441.2399902 2.48 443.3367310 0.16 446.4212036 0.20 447.2208862 0.02 454.3397217 0.11 458.5534058 0.13 459.4058228 0.07 466.6069336 0.10 468.8748169 0.21 471.6051025 0.08 472.4118042 0.12 473.5785522 0.23 474.3955688 0.12 482.1348877 0.03 485.1970215 1.96 487.3748779 0.17 492.3261719 0.07 498.3986206 0.05 503.3157349 0.65 513.9168701 0.22 515.7523193 0.16 525.1102905 0.16 527.4226685 0.19 529.2135620 2.23 547.4508667 0.07 553.4248657 0.10 564.6605835 0.26 566.0747681 0.10 573.1367188 1.30 578.1199341 0.28 578.7817993 0.06 579.9502563 0.05 591.2826538 1.12 615.1109009 0.26 617.2658081 1.36 619.4221191 0.14 635.2872314 2.16 636.3329468 0.25 654.8945923 0.15 658.6310425 0.45 660.8678589 0.23 661.4984741 0.14 664.4196167 0.12 665.7637329 0.12 671.7493896 0.14 672.4519043 0.18 673.2960205 0.05 679.3255005 2.40 684.3359985 0.17 685.4352417 0.10 686.9743042 0.29 693.3984985 0.08 695.6345825 0.10 696.3798218 0.10 698.4613647 0.21 699.7671509 0.10 701.3834229 0.34 702.4249878 0.22 705.1698608 0.78 712.4613647 0.17 721.6220093 1.12 723.2721558 100.00 724.0204468 0.29 728.5352173 0.37 739.8347778 0.12 741.3096313 0.32 751.8851929 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 359.1785 Annotation Unknow Peak:m/z Relative Intensity 140.0424500 0.36 145.1323547 13.17 151.2273254 0.23 159.0633698 0.31 187.0862885 0.19 191.1861572 0.06 194.1563721 0.07 196.0191040 0.42 202.9726257 0.06 204.3054962 0.10 206.1716003 0.26 207.2631836 0.08 213.1263428 2.78 214.0320740 0.05 222.9993591 0.63 226.9329834 0.20 231.1921387 0.32 238.9962769 0.05 240.1852417 6.62 241.1230164 0.19 245.0936890 0.72 248.4526672 0.12 255.1202087 0.09 257.9002991 0.88 258.5097656 0.04 262.4492493 0.13 263.1349487 0.12 265.2072754 0.06 267.3282471 0.56 272.2724609 0.28 275.1573486 0.07 279.2581787 1.10 280.1805420 1.61 284.9552917 0.12 286.0602417 0.07 291.1533508 0.49 294.2547302 2.50 296.2327881 9.32 297.2134705 0.40 298.2131042 0.25 301.4168701 0.03 311.3699036 0.12 312.0149841 0.64 313.2328796 100.00 314.2824097 1.26 315.1190186 0.44 324.3166504 0.09 329.1784668 0.08 331.1585999 22.51 340.4931946 0.10 341.2508240 0.51 343.3932190 0.10 344.2101135 1.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 168.1 Annotation a-Methyldopamine Peak:m/z Relative Intensity 108.9404755 0.06 110.0639343 0.01 112.1855164 0.01 120.0652008 0.06 120.7027435 0.02 122.0525055 0.09 124.0769806 0.07 124.9902954 0.02 126.0827789 0.02 127.0493774 0.02 136.1428375 0.01 138.3633423 0.02 140.2136078 0.06 146.7429504 0.01 150.9974213 100.00 152.0167236 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 947.4499 Annotation Unknow Peak:m/z Relative Intensity 336.3465881 0.22 337.5252686 0.33 410.4252930 0.33 411.2857666 1.58 429.2820435 6.37 430.4111938 1.53 447.3826294 6.25 448.4424438 2.38 468.6032715 0.16 573.4149170 0.38 587.4047852 0.28 591.3482666 9.26 592.3956909 4.64 609.3983765 8.97 610.3616333 4.78 662.5031128 0.32 705.5464478 1.11 706.7660522 0.51 723.0876465 0.22 742.4093628 0.50 750.4317017 1.00 753.2941284 0.87 754.4578247 1.20 767.3707275 0.29 771.4520874 31.10 772.5099487 10.58 783.5029907 0.22 786.1708374 1.32 802.3912964 0.22 811.5891724 1.85 812.4094849 1.48 813.6348267 0.23 823.6168823 0.27 829.6096802 2.34 830.5722656 2.11 841.2817993 2.69 842.6221924 0.32 849.0817261 0.33 867.5917358 7.86 868.6431274 1.63 885.4508667 3.88 886.6134644 2.40 887.5124512 6.89 888.3762207 3.27 893.4542847 0.23 904.2820435 0.24 911.2687378 8.03 912.3416138 1.24 929.4451904 100.00 930.4845581 52.43 931.1785889 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 589.246 Annotation Swietenin F Peak:m/z Relative Intensity 221.3067322 0.01 255.3217163 0.01 259.2958984 0.04 327.3170166 0.01 374.2881470 0.01 449.7066650 0.01 472.6257935 0.01 489.6519775 0.01 513.3795166 43.42 514.3908691 11.31 515.1251221 0.01 518.4455566 0.01 521.0425415 0.01 530.3950195 0.03 533.6602173 0.05 535.5118408 0.06 537.4995728 0.01 542.7832642 0.01 545.3632202 100.00 546.3336182 23.70 547.0453491 0.07 551.6717529 0.01 553.4933472 0.02 557.1817017 1.41 558.1395874 0.33 558.7577515 0.01 570.9148560 0.01 573.6331177 0.02 574.5642700 0.01 585.5628052 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 421.0024 Annotation SC-58125 Peak:m/z Relative Intensity 130.9773712 0.04 154.8601837 0.03 172.9494019 1.65 190.9905243 100.00 207.1046600 0.04 212.9541779 0.09 226.7933044 0.12 233.1266174 0.06 234.2179565 0.03 240.1195984 0.01 241.1779785 0.09 245.9407043 0.07 249.1694946 0.12 255.2195129 0.04 259.1257629 0.08 268.9325867 0.03 272.8890381 0.11 287.1683350 0.06 287.9733276 0.12 288.9370117 0.13 291.4116821 0.05 299.1040649 0.04 306.2712708 0.48 314.1997681 0.04 315.0952759 0.14 316.1502075 0.11 317.0401306 0.93 331.0219421 0.05 341.2805481 0.14 345.2907410 0.05 349.3166199 0.09 351.5575867 0.10 355.3319397 0.05 357.0208435 0.46 359.1679688 0.29 376.3815002 0.13 377.2481995 0.12 385.0431824 0.29 386.1903992 0.04 387.2231140 0.06 390.8963318 0.03 393.2021790 0.05 401.9747009 0.51 403.1990051 11.00 406.2079163 1.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 696.4376 Annotation Unknow Peak:m/z Relative Intensity 205.0858917 0.03 219.0332642 0.21 220.4566956 0.14 221.0917969 1.69 249.0249329 0.03 255.2057800 0.16 262.3041687 0.10 263.0223389 0.07 265.0742188 2.19 267.0477905 0.20 283.3265991 0.32 285.3367310 0.08 291.7444458 0.03 292.8586121 0.03 307.0175781 0.25 309.0632324 2.40 309.6821289 0.05 311.2420654 0.44 313.0831299 0.14 313.8802490 0.06 320.0595703 0.09 326.1736450 0.04 327.3922119 0.46 333.3386841 0.10 345.4860840 0.11 351.1232300 0.15 353.1818848 2.46 355.3627319 0.24 358.3137207 0.04 363.3034668 0.07 365.5276489 0.03 371.2064819 0.73 383.0082397 0.06 387.3108521 0.05 395.1449585 0.06 397.1831665 2.46 399.1721802 0.09 403.2481689 0.08 413.1632690 0.05 415.2237549 0.57 428.8465576 0.11 441.1766357 2.40 443.0189819 0.18 459.3700562 0.32 461.3506470 0.05 468.2104492 0.03 471.0684204 0.04 474.2557373 0.01 475.1437988 0.07 481.2126465 0.05 483.0004272 0.05 484.3433838 0.04 485.1856079 2.00 487.6412964 0.08 498.3158569 0.06 503.2352295 0.34 509.3948975 0.11 510.3568726 0.11 518.4561768 0.07 523.0588379 0.03 527.2496948 0.05 529.2118530 0.73 531.5794678 0.04 532.2537842 0.03 533.5031738 0.11 534.4132080 0.07 547.3093872 0.44 560.5293579 0.09 566.4025879 0.23 570.9180298 0.02 573.2477417 1.51 583.6574097 0.07 591.2195435 2.17 591.8911133 0.05 593.3184814 0.01 601.6134644 0.07 607.6115112 0.05 617.0310669 0.34 617.6831665 0.03 635.2516479 1.90 635.8914795 0.04 661.3139038 1.02 664.1535645 0.12 664.8655396 0.11 666.5394287 0.05 667.5916138 0.02 677.1762695 0.11 679.2469482 100.00 680.0128784 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 729.27 Annotation Unknow Peak:m/z Relative Intensity 224.9467926 0.08 248.6476746 0.09 254.8890228 0.05 262.6181030 0.05 269.3190002 0.13 279.2438354 0.17 281.3945618 0.21 287.2100830 0.31 295.4127197 0.06 299.3453064 0.11 301.2080688 0.12 306.9728394 0.05 321.4211731 0.10 323.3195190 0.05 333.0772095 0.09 339.4747314 0.28 345.2924805 0.55 347.5534058 0.04 357.2534180 0.15 359.3151855 0.39 360.9606934 0.05 365.2302856 0.82 367.4274292 0.08 371.3880005 0.47 382.0948486 0.04 383.2470093 0.21 385.0799561 1.28 397.1810303 0.30 398.2411499 0.04 399.1349487 0.04 406.3751831 0.10 410.5847778 0.31 411.3466797 0.44 419.3181152 0.03 420.2866821 0.14 440.2493286 0.07 441.1577148 0.30 443.1338501 0.11 445.3338623 0.03 446.1757812 0.12 448.3626099 0.05 455.1864624 0.08 476.1563110 0.10 478.2832031 1.61 489.3567505 0.03 490.1893921 0.57 504.0288696 0.05 505.5089111 0.04 513.3256226 0.20 514.2086182 0.14 522.2723389 0.19 525.7716675 0.05 530.1949463 0.04 538.4166260 0.19 548.3592529 0.03 549.5281982 0.06 550.4937134 0.08 552.2833252 0.23 553.5468140 0.05 562.3538208 0.42 564.2745972 1.64 573.6768188 0.09 575.2456055 0.37 576.3113403 0.85 590.2970581 0.36 593.1411743 0.65 593.8791504 0.56 594.5177612 0.09 595.3563843 0.04 606.3845215 1.53 608.2549438 100.00 608.9254761 0.31 611.3248901 0.32 616.5412598 0.08 619.1366577 0.10 620.2826538 0.05 625.3185425 1.94 643.2267456 1.24 648.9871216 0.03 653.3119507 1.57 655.5562134 0.18 657.7034302 0.10 659.4650879 0.08 667.5241089 0.24 668.6761475 0.07 669.3914185 0.02 679.4832153 0.18 682.8651733 0.16 684.7523804 0.94 685.4467163 5.58 697.2421265 37.95 697.8640747 0.44 701.1628418 0.10 710.1980591 0.44 711.2572021 1.60 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1057.52 Annotation Foetidissimoside A Peak:m/z Relative Intensity 439.2762756 0.04 453.4037781 0.25 455.4776001 4.92 469.6549683 0.02 501.3805237 0.02 505.7232056 0.16 511.5195312 0.04 523.4526367 5.64 524.2648315 0.06 533.4439697 0.19 535.8671875 0.17 537.5348511 2.55 543.8135376 0.05 549.4909668 6.02 550.1043701 0.08 551.4468994 5.15 552.1994629 0.04 563.7333374 0.07 565.3863525 0.12 569.5283203 2.82 575.8029785 0.05 576.6756592 0.19 577.4698486 0.14 583.5096436 0.42 587.6025391 0.41 593.2154541 0.15 595.4146729 2.33 596.0894775 0.02 601.4312744 0.02 611.4597168 0.11 613.5850830 0.60 623.0716553 0.11 628.9738159 0.04 629.6074219 0.16 633.4776001 0.06 639.1666260 0.16 651.3786621 0.04 655.3856812 0.33 683.5650635 3.70 701.5590820 10.18 711.1258545 0.03 713.2424316 0.38 719.3723755 0.38 727.6301270 1.59 739.3801270 0.09 743.5220947 0.07 745.5202637 10.36 753.5123901 0.02 757.5500488 0.85 763.5134277 6.93 775.7297363 0.06 787.2206421 0.13 793.6864014 0.12 805.5339355 0.32 829.3985596 0.04 833.4697266 1.12 847.3673096 0.15 851.5117188 0.03 865.2249756 0.06 895.5122070 100.00 896.1821289 0.35 909.6483154 0.02 925.4475098 14.21 926.4622803 0.51 927.7551270 0.48 937.3911133 1.95 938.2376709 0.20 967.7288818 0.11 979.6832275 0.26 997.4440918 0.22 998.0729980 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1279.5652 Annotation Unknow Peak:m/z Relative Intensity 437.2081299 0.16 453.7091980 0.11 455.4952698 0.67 456.4300537 0.24 467.5583801 0.06 469.1938477 0.18 483.3527222 1.08 499.2583008 0.12 501.4724121 4.66 516.5386963 0.08 525.4819336 0.49 543.6156006 1.04 555.6750488 0.15 585.1976929 0.08 603.6030273 1.03 677.8609619 0.08 678.4761353 0.07 747.5270996 0.04 785.2551270 0.13 809.4002075 3.76 810.0134277 0.20 851.4474487 1.60 886.3066406 0.14 901.4814453 0.14 909.4981689 0.08 941.4952393 0.29 953.3601074 0.20 971.5208740 100.00 972.5911865 2.17 973.4984131 0.48 1005.3983150 0.10 1098.0031740 0.06 1102.4450680 0.06 1103.7794190 0.32 1147.7841800 4.45 1148.5319820 16.63 1149.6372070 3.06 1150.3549800 0.03 1190.4345700 0.10 1217.6828610 0.10 1234.4119870 0.11 1235.4067380 0.16 1244.1749270 0.11 1260.2065430 0.61 1261.5617680 0.91 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 348.85 Annotation Unknow Peak:m/z Relative Intensity 112.9377136 0.26 128.9740448 0.22 180.8108215 2.12 220.6832275 0.16 246.9979248 0.16 264.7964478 5.45 265.5048523 0.42 274.0985107 0.19 275.0863037 0.44 280.9118958 0.30 286.8054199 0.20 302.8683472 100.00 321.4394226 0.47 330.7716980 26.28 333.9150391 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 720.3013 Annotation Unknow Peak:m/z Relative Intensity 249.1048889 0.06 280.4103088 0.03 285.0981140 0.03 301.1572876 0.02 325.2662354 0.02 360.5111694 0.01 382.1021118 0.02 398.0667114 0.03 406.3964233 0.03 427.4166870 0.18 434.3034668 0.02 444.2684326 0.11 445.3309937 0.03 446.3557739 0.08 471.3164062 0.06 486.3563843 0.13 487.4505005 0.24 489.2822266 0.18 490.6444092 0.09 491.4577637 0.04 493.1335449 0.02 502.3993530 0.05 503.2477417 0.20 504.2577515 0.08 505.5450439 0.22 518.0994873 0.07 519.3829346 0.08 527.3336792 0.06 530.0697632 0.23 531.3097534 1.64 532.3291626 0.07 540.2772827 0.13 542.2813110 0.02 543.4111938 0.05 544.6544800 0.05 545.6722412 0.02 550.0866089 0.03 551.2235718 0.02 562.3875732 5.10 563.2748413 18.20 564.1508179 0.50 566.3059692 0.07 568.4393921 0.03 582.5027466 0.03 583.5966187 0.09 584.6248779 0.33 599.8471680 0.11 600.5227661 0.07 602.7285156 0.04 609.7887573 0.04 610.3949585 0.77 611.0079346 0.01 616.7351685 0.02 626.4295044 0.72 627.5970459 0.76 628.4593506 3.02 629.6188354 0.05 639.3069458 0.03 642.2958374 0.57 644.3226929 1.48 646.4296265 0.12 652.3963013 0.07 657.4052734 0.02 658.3267212 0.04 659.6081543 0.89 660.4105835 6.38 661.3313599 0.03 669.6608276 1.03 670.4312134 13.43 671.4401855 0.10 673.4425659 0.06 674.3439941 0.10 676.0122681 0.03 676.7189941 0.03 678.3436279 0.11 684.3585205 0.04 688.3145142 100.00 689.2579346 1.18 697.4249878 0.63 699.0969849 0.02 702.2536621 15.56 703.3487549 0.07 1173.2382810 0.02 1233.7535400 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 465.1438 Annotation Unknow Peak:m/z Relative Intensity 139.1108093 1.04 160.7693481 2.39 168.9061127 3.02 179.0629730 0.62 181.0903931 2.16 199.1193848 1.41 205.1799316 3.24 206.0141296 1.26 212.3052826 1.03 213.3098450 2.92 224.3265228 0.47 225.0101471 4.78 241.0701294 62.83 242.1407623 5.04 257.0521545 51.60 257.9913330 1.61 259.0429993 48.96 285.1914978 3.73 297.0740662 0.70 299.1424561 7.55 313.3021240 1.82 321.1320190 0.89 342.1795044 1.59 346.3678589 0.42 351.2047729 0.60 369.0223999 0.63 379.3353577 1.70 381.1977539 0.66 408.0769348 0.51 419.3110962 0.42 421.2159729 1.96 423.3380127 3.03 435.2607422 28.17 437.1999817 100.00 438.2610779 11.33 447.4205627 1.08 450.1719971 67.96 451.2783508 9.05 465.4710999 3.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 651.1924 Annotation Pinocembrin 7-O-neohesperidoside 3'''-O-acetate Peak:m/z Relative Intensity 193.2075043 0.05 290.1251221 0.06 295.2279053 0.64 314.7977905 0.19 323.1466675 0.35 325.1597900 100.00 333.5243225 0.11 334.7249146 0.26 353.2621460 0.13 355.4192505 0.20 356.2307739 0.38 379.3086548 0.11 385.3378906 0.22 399.2953491 0.13 403.6462402 0.10 415.4931641 0.06 430.4880981 0.09 431.2687988 0.22 433.2178955 0.23 439.2216187 0.06 441.3521118 0.08 452.5679932 0.10 453.2664185 0.05 457.3058472 0.62 459.2725830 0.27 465.4562378 0.18 471.1699829 1.49 474.3950806 0.20 475.2934570 0.45 476.2583618 0.40 483.2562866 0.07 486.8453369 0.25 489.2626343 0.10 499.6493530 0.34 512.4484863 0.30 528.2517700 0.56 529.8842163 0.17 550.3117676 0.18 552.5082397 0.26 553.2241821 0.39 554.3740845 0.30 559.1881714 0.40 561.2013550 0.25 562.3864136 0.10 564.3562622 0.05 571.5527344 0.22 579.2921753 0.12 589.1558228 0.23 592.5479126 0.31 603.2911987 0.12 604.0903931 0.44 605.1718750 0.22 607.0584717 2.06 607.8989868 0.07 613.5269165 0.24 614.2421265 0.05 616.2366333 0.09 618.5528564 0.04 623.6724243 0.20 632.3501587 0.37 633.2462769 1.17 634.5365601 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 941.4789 Annotation Cynarasaponin D Peak:m/z Relative Intensity 307.3435364 0.05 423.7784424 0.06 433.3010254 0.15 437.5360107 0.27 441.5690918 0.13 453.4882812 1.18 455.5358887 0.06 469.3840942 0.23 471.5547485 17.23 481.3075562 0.39 483.7444458 0.05 485.4786377 0.51 493.6110229 0.07 499.4559937 3.33 513.6364136 0.17 527.5419312 0.56 529.7120361 0.25 535.7065430 0.09 539.4654541 2.05 549.5713501 0.24 551.3972778 0.04 553.5599365 2.33 565.2604980 0.25 567.5115967 19.27 568.5440674 0.08 569.5647583 0.64 571.9442749 0.02 583.5583496 0.06 585.5493774 10.15 587.4769287 1.23 591.3971558 0.09 593.5095825 0.66 603.4885254 0.69 609.5889282 0.27 611.4235840 2.09 629.4196167 2.95 647.5032959 1.33 689.5457764 0.26 717.5747681 2.36 729.5039062 0.19 735.2742920 0.69 736.0210571 0.03 747.2762451 0.16 749.4614868 0.21 755.5603638 0.05 761.5320435 0.36 773.4107056 0.18 778.2066040 0.07 779.5765991 100.00 791.7651978 0.31 793.6521606 0.09 809.5344238 20.18 810.5599365 0.44 811.4171143 0.28 820.7927856 0.04 821.5704346 1.55 862.8724365 0.04 863.5952759 0.03 865.6552124 0.23 881.6484985 0.05 883.6829224 0.06 897.8479004 0.05 923.8493042 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 491.1773 Annotation Diospyrososide Peak:m/z Relative Intensity 144.9722290 0.64 152.9602814 0.65 156.9277649 1.15 161.1578369 1.33 162.9716034 1.53 168.7693176 0.11 175.0424194 1.93 179.0892029 6.86 181.0234070 0.93 187.1449890 0.16 193.0310059 0.24 197.0440979 5.18 204.8904114 2.64 221.1006927 0.31 223.1416626 5.13 229.9190369 0.27 231.1072083 3.51 233.0655823 0.50 241.0547333 6.71 249.1649628 44.79 255.1184387 0.17 258.9408264 0.13 267.1928101 80.19 283.3135071 0.90 285.1629639 2.83 287.2707214 0.23 290.9907837 0.41 297.2290039 4.77 301.4573059 0.11 309.0939941 0.66 311.2704163 0.99 315.2866211 51.61 316.2559814 0.24 323.0486450 0.59 329.1877441 18.73 330.9032593 0.24 333.3732300 0.18 343.3264160 0.13 349.1784058 4.39 356.1984558 0.13 357.2694702 0.59 369.1036682 0.32 371.1876831 2.31 385.1559448 0.09 399.2753601 0.17 403.2756348 1.94 411.1196289 1.23 413.0370789 3.60 414.4151306 0.50 419.1127014 0.20 429.2691956 64.40 431.2772217 61.28 432.3056946 0.28 447.2495728 3.29 455.1808167 5.79 458.2742004 0.44 473.2536926 100.00 474.2348938 0.64 481.6040955 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 847.2262 Annotation Spinacetin 3-(2''-feruloylgentiobioside) Peak:m/z Relative Intensity 261.1277466 0.09 269.1744995 0.06 271.2969055 0.03 272.2036438 0.28 272.8311462 0.08 274.2781982 0.04 275.1314697 0.17 285.0320740 0.04 286.0093079 0.26 286.9855957 0.25 289.0735779 0.34 291.0967712 0.16 293.1933289 0.24 297.1653442 0.28 301.1998291 0.13 303.1182861 0.60 304.0641479 0.57 313.3193665 0.08 315.3265991 0.29 316.1716003 0.46 317.1023560 0.97 321.1102600 5.30 329.1346741 0.16 331.4074402 3.21 332.1378479 9.82 336.7064514 0.19 338.3129883 2.81 339.1549072 12.46 342.0048523 0.11 345.2761841 1.55 347.1088257 100.00 347.7704773 0.26 355.8489990 0.03 356.4578247 0.10 357.0694580 0.60 359.2238770 0.66 361.2518311 0.28 371.6980896 0.06 375.0385742 0.10 385.3869019 0.07 389.1659546 19.05 393.1951904 0.16 398.8727417 0.34 411.2499390 0.10 413.3237915 0.95 425.3047485 0.40 429.2850342 0.15 436.9918823 0.25 443.4378662 0.09 446.8381958 0.08 455.3326416 0.81 465.1640015 1.66 473.0501709 0.70 474.1203003 0.09 482.9580078 2.68 483.6798706 0.21 489.2279053 0.08 491.2011108 8.63 493.3589478 0.47 501.1600342 1.36 509.1966553 9.39 515.3540649 0.21 518.2754517 0.10 522.2214355 0.05 532.2723389 0.16 551.3524780 0.50 561.9952393 0.15 564.9840088 0.03 642.8028564 0.11 648.1862793 0.06 651.2974854 0.13 657.4979858 0.12 667.3530273 1.70 671.2453003 0.13 684.4880981 0.57 685.1690063 2.90 692.5072632 0.03 710.9548340 0.34 726.9797363 0.29 749.5039673 0.11 793.0853271 0.44 803.4965210 0.34 810.9566040 1.30 811.5728149 0.35 815.2775269 0.11 822.7527466 0.31 828.3700562 0.40 829.1147461 12.33 837.5110474 0.79 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 561.2183 Annotation Kunzeaphlogin D Peak:m/z Relative Intensity 157.0859833 0.05 172.2286377 0.06 173.2446442 0.04 174.0861969 0.28 175.0281830 0.74 176.1063385 0.21 178.7775421 0.03 191.2636261 0.19 192.9226990 0.13 198.0130920 0.09 203.2535553 0.13 205.1778259 0.54 206.1141357 0.10 215.0917664 0.30 219.9774017 0.08 220.8833923 0.08 235.1965637 0.28 236.1594086 0.17 237.1615143 0.03 241.4764709 0.36 248.4724731 0.05 250.8751831 0.08 259.0593872 0.13 263.0340576 0.06 275.3709106 0.05 291.2189331 0.13 293.2219238 0.17 310.8581543 0.92 311.5182495 0.33 321.3452148 0.06 323.2389526 0.22 325.1895752 0.04 337.3561401 0.05 338.4061890 0.18 343.4773560 0.07 353.8692627 0.08 355.4187622 0.06 356.4768677 0.08 380.5829468 0.25 383.2724609 0.21 384.2610474 0.03 387.0546875 0.09 393.2265015 0.35 397.4902344 0.14 401.1586914 0.91 402.1269531 0.10 416.1384277 0.05 417.0841675 0.12 433.3694458 0.08 442.2308960 0.04 443.4150391 0.20 444.2301025 0.29 445.0712891 0.05 467.2678223 0.07 473.4420776 0.17 474.5374146 0.08 475.2922974 0.54 479.3839111 0.03 483.4943237 0.67 501.2924194 1.26 502.3403320 1.13 503.5604858 0.06 517.2870483 100.00 518.5131226 0.07 519.6353149 0.33 526.3002319 0.17 543.2382202 0.24 544.2811890 1.04 545.0625610 0.09 548.4921875 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 616.2736 Annotation Unknow Peak:m/z Relative Intensity 246.6287842 0.16 259.0793152 0.38 260.1889648 0.33 273.1285400 0.58 291.1558838 0.86 306.8916016 0.24 404.3484497 100.00 404.9832764 8.68 411.3660278 0.76 419.2014160 0.59 423.1486206 4.70 424.0903320 0.21 425.3461914 1.16 432.2025146 1.12 439.5841064 11.63 440.5938110 2.42 446.2747803 2.26 451.7101440 0.16 453.7227173 0.20 466.2563477 0.28 467.3873901 0.53 477.1060181 0.61 481.0418701 1.53 482.1077881 0.23 483.5136108 0.72 484.8088379 1.35 498.2716675 0.71 499.0967407 0.95 501.4458008 1.87 511.7095337 0.13 516.4354858 1.32 519.2066040 0.64 519.8329468 0.39 523.3028564 0.17 525.4279175 1.12 532.2490234 1.30 543.4185181 0.59 544.4119873 0.12 550.2842407 92.09 550.9594116 28.29 551.8456421 0.13 553.3796997 0.39 556.0350952 0.62 567.1126099 0.17 579.2235107 0.30 584.7362061 1.55 586.0817261 2.35 593.4488525 0.59 597.1891479 0.92 668.7835083 1.59 669.3980103 1.72 670.0884399 0.88 731.8270874 0.57 793.6130371 0.24 807.5800781 1.60 809.4318237 28.04 810.4564819 5.33 851.6222534 4.56 852.7451782 1.01 863.2664185 3.85 864.4869995 2.20 895.4928589 3.74 896.5165405 1.89 925.5102539 1.28 926.3232422 0.54 937.2663574 3.49 938.3728027 0.87 951.3440552 0.25 955.4755249 0.24 995.2512817 0.58 996.2512817 0.34 997.5903931 7.23 998.6589966 0.16 1039.6802980 0.25 1081.4123540 0.59 1082.6429440 3.47 1083.4709470 32.83 1084.5159910 17.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 703.3541 Annotation Butyl 3'-O-acetyl-2'-O-butanoyl-4,6,4'-tri-O-(2-methylpropanoyl)-neohesperidoside Peak:m/z Relative Intensity 207.2818146 0.02 260.8867493 0.09 284.3399658 0.01 305.3857727 0.02 323.1569824 0.44 324.0524292 0.06 325.4155884 0.03 343.1661072 0.02 350.9487915 0.06 356.2604980 0.02 365.3722534 0.04 377.5477905 0.02 402.3679199 0.04 441.2054443 0.02 475.3389893 0.03 477.2698364 0.07 479.3765869 0.80 481.3255615 0.05 494.4635010 0.02 497.4127197 0.08 521.6015015 0.03 525.3218384 0.02 526.5256958 0.06 538.4857178 0.04 540.2190552 0.04 550.5360718 0.03 554.2306519 0.01 557.0227661 0.03 569.3954468 0.04 572.2069702 0.04 574.2072144 0.02 576.9682007 0.06 580.3631592 0.08 581.8977661 0.09 584.4586182 0.03 605.7196045 0.02 607.2901611 0.01 612.2710571 0.11 615.5108032 0.03 616.5302124 0.09 617.4022827 0.05 621.6603394 0.05 623.1434937 0.02 639.0939331 0.08 639.7612305 0.04 641.9541626 0.09 643.5110474 0.13 654.4448242 0.02 657.4249878 100.00 658.3134155 0.15 659.3219604 0.20 660.5801392 0.03 667.3312988 0.08 670.4977417 0.08 677.4013062 0.03 685.4094849 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 985.93 Annotation Unknow Peak:m/z Relative Intensity 291.1953125 0.17 439.5192871 0.02 483.4818115 0.13 484.3802490 0.13 485.6179199 0.25 487.4491882 0.67 499.4988098 0.09 500.1264343 0.04 529.5177002 0.04 551.5544434 0.29 587.2091064 0.08 595.3585205 0.27 601.5219116 1.26 609.5612793 0.03 623.6553955 0.04 641.6729126 0.15 645.5621948 0.54 659.5563354 1.06 663.4538574 0.13 703.6439209 0.18 717.4427490 0.16 745.1306763 0.03 751.6208496 0.04 757.1658936 0.16 757.8210449 0.13 775.6058350 0.04 779.4100342 0.88 807.5262451 1.62 821.4853516 10.22 822.0872803 0.04 823.5693359 0.34 825.5158691 78.90 826.1979980 0.58 837.4713135 0.76 838.5754395 0.05 839.3272705 0.12 853.5988770 0.62 865.5386963 10.18 879.6762695 0.06 881.4108887 2.29 883.5251465 33.73 913.5170898 0.85 923.4763184 1.13 925.3220215 1.59 926.3536377 3.26 927.0577393 0.21 934.7016602 0.11 939.8991699 0.08 941.4378662 100.00 942.0944824 0.28 967.3262939 0.74 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 381.08 Annotation Lactulose Peak:m/z Relative Intensity 143.2680511 0.05 177.4630432 0.02 187.1900024 0.03 196.0089417 0.18 207.2295227 0.08 208.8612061 0.38 209.9733582 2.04 210.9793091 0.25 212.8147583 0.18 214.8854523 0.15 222.0270386 0.08 235.0112610 0.17 239.0912170 0.21 241.2465515 0.14 247.9608459 100.00 248.8939819 1.43 253.3024902 0.04 259.9450684 0.07 280.8237915 0.10 282.3459473 0.08 290.9697266 0.21 293.3375854 0.03 297.1461182 0.16 308.3934631 1.80 309.1341553 0.13 318.1010132 0.21 319.3181763 0.03 321.1594543 0.24 324.2143860 0.03 331.3055420 0.24 337.1181946 0.12 338.8363037 0.14 340.0258789 0.19 353.0207825 0.19 363.0519714 7.52 364.0247192 0.88 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 871.3965 Annotation Thevetin A Peak:m/z Relative Intensity 253.2095184 0.10 255.9842529 0.12 267.0609741 0.27 268.0987244 0.15 320.8868408 0.10 323.6241455 0.12 330.1311646 0.08 341.8925781 0.05 346.2665710 0.18 427.5043945 0.05 434.5879517 0.11 441.3540039 0.09 454.5603638 0.10 459.3933105 0.50 466.3846436 0.23 483.7172241 0.11 551.4947510 0.12 579.1749878 0.55 596.4663696 0.22 603.4474487 0.17 607.5746460 1.02 608.5982666 0.32 612.3632812 0.29 619.3474731 0.71 620.2172241 0.21 621.5291138 0.25 649.2210693 0.31 659.2304077 0.12 661.6778564 0.27 675.5429688 0.09 691.3895874 1.11 694.6050415 2.25 695.3394775 1.40 696.3518677 0.78 708.3599243 0.09 733.0493164 0.11 748.3692017 0.13 752.5148315 0.25 765.6040039 0.39 773.5303345 0.10 781.3825073 0.96 783.4694214 5.53 784.4672241 1.69 785.4376831 0.11 791.4143677 0.20 792.2037964 0.05 794.3796997 0.62 795.7056274 0.06 811.2684937 0.28 821.5158081 0.26 824.3966675 0.80 825.4526978 0.35 827.4740601 100.00 828.1786499 0.34 831.4203491 0.06 835.2985229 0.09 839.2655029 0.93 841.2425537 0.22 845.4985962 1.07 849.5369263 0.28 852.6870117 0.59 853.4527588 0.95 854.4624634 0.12 855.8586426 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 591.2292 Annotation Ligurobustoside M Peak:m/z Relative Intensity 169.0693359 0.20 179.0775452 0.19 185.0780487 0.13 187.1882172 0.52 197.1769714 0.19 201.0063477 0.13 202.8661804 0.02 205.0628662 2.32 215.2944031 0.19 227.5753784 0.13 229.2142487 1.64 231.4755249 0.20 241.1168671 0.05 245.2164612 0.13 247.0655975 0.05 249.1842957 22.37 257.1618958 0.06 259.0765686 0.13 263.2353821 0.07 283.3526611 0.08 291.2232056 1.32 295.1480713 0.34 321.1627808 0.99 323.3081055 0.03 333.3665771 0.07 348.9689331 0.11 351.2567139 1.07 367.0684204 0.25 384.6778564 0.04 385.2904053 1.06 393.0966187 0.69 411.1866455 32.74 411.9108276 0.24 429.2276611 100.00 429.8652344 0.49 452.9518433 0.07 471.3392944 0.83 475.3503418 0.06 482.6910400 0.02 501.2139282 1.11 528.2120972 0.08 531.3687134 4.75 533.2473145 0.07 545.2133179 0.14 555.4543457 0.25 559.3917236 0.05 573.1777344 0.58 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 707.29 Annotation Brassica napus non-fluorescent chlorophyll catabolite 3 Peak:m/z Relative Intensity 231.1145325 0.02 267.2923584 0.08 280.5889282 0.04 283.3619080 0.05 304.2225952 0.06 307.3194580 0.03 319.5971680 0.03 334.3305054 0.05 345.2680664 0.04 355.0765991 0.13 359.1303101 0.02 363.0194702 0.02 389.2081909 0.11 393.6276245 0.03 402.4717407 0.06 403.3793945 0.21 415.0795288 0.04 416.0104980 0.05 417.1658325 0.04 429.1834106 0.07 441.2579346 0.05 442.3419800 0.02 459.0006104 0.11 467.2999878 0.07 472.9615479 0.04 474.3232422 0.05 481.2516479 0.12 483.4788208 0.05 492.3735962 0.22 504.2865601 0.03 518.3378906 3.59 522.4891968 0.05 527.5164795 0.05 531.4694824 0.07 532.3273926 0.08 533.4483643 0.03 534.2031250 0.10 534.9338379 0.02 536.2977905 0.03 539.3000488 0.16 540.7092896 0.11 543.3304443 0.04 545.3557739 0.02 550.2900391 40.65 550.9230957 0.12 557.4314575 0.15 563.4795532 0.17 571.3529663 0.22 575.8079224 0.07 581.3502808 1.50 582.0104370 0.01 583.4138794 1.10 586.5307617 0.03 592.5211792 0.02 595.4766235 0.12 599.3834229 4.92 600.0149536 0.06 601.0802002 0.04 601.9613647 0.10 610.6229858 0.04 613.3722534 0.32 614.6426392 0.42 615.4330444 3.32 618.3811646 0.10 619.4681396 0.11 620.6102905 0.04 625.3645020 2.36 628.3837280 0.08 629.2472534 0.29 631.3161011 0.73 632.3773804 0.02 632.9828491 0.07 633.6997070 0.02 639.3585205 0.13 641.4954224 0.04 643.3124390 10.71 644.0060425 0.02 645.2916870 0.21 646.4649048 0.28 647.3437500 6.15 657.3278198 22.88 658.0309448 0.07 658.7293701 0.12 659.9315796 0.10 661.1198120 0.24 662.3921509 0.23 663.5272217 0.60 664.3896484 0.03 668.9212036 0.04 670.6157837 0.02 672.8374634 0.09 673.4614868 0.31 675.3335571 100.00 676.0075073 0.12 677.4281616 0.24 679.8571167 0.04 681.7794800 0.02 683.4983521 0.14 689.2766724 34.02 691.5293579 0.09 697.8672485 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 931.5367 Annotation Unknow Peak:m/z Relative Intensity 270.3009338 0.09 275.1362610 0.05 277.3080750 0.04 287.3981934 0.13 293.2603760 0.05 307.2963562 0.09 319.3572388 0.06 329.1819458 0.04 335.4699402 0.12 341.2080688 0.05 347.2584229 2.20 365.2364502 0.28 397.6312256 0.05 403.5177002 0.18 405.2708130 1.28 415.6268311 0.03 421.2782593 0.17 443.4389038 0.19 491.4279175 4.18 492.4800415 0.16 519.5194702 4.08 599.3981323 0.14 600.2833862 0.07 625.2616577 0.10 625.8816528 0.06 653.4251099 100.00 654.4124756 1.33 681.4604492 79.68 682.6161499 1.55 687.4600830 0.12 769.5734253 11.62 770.6391602 0.18 825.6781616 0.06 856.8526001 0.12 875.5781860 0.04 882.5253296 0.08 886.1185913 0.19 895.0715332 0.16 899.6747437 0.05 902.8395386 0.04 912.6106567 0.13 913.4850464 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 753.2824 Annotation Unknow Peak:m/z Relative Intensity 229.2991638 0.10 231.4668274 0.05 241.1626892 0.10 245.3511047 0.16 249.1053162 3.50 261.1450500 0.31 262.1749878 0.47 263.4747620 0.08 271.4252930 0.10 273.0346985 0.08 291.3055420 0.51 303.1810913 0.16 306.2225647 0.31 321.2180176 1.01 323.1346741 1.51 325.3026123 0.17 341.2503662 8.75 342.1994019 0.44 343.5695190 0.24 345.0842896 0.08 348.7288818 0.18 349.3472290 0.26 351.1615601 5.53 357.2873535 0.71 364.2449951 0.18 375.3441162 0.18 380.1089478 0.04 383.0629883 0.19 385.2250977 1.65 397.3413696 0.09 411.1755981 19.31 428.7687378 1.03 429.3880615 8.46 453.3516235 0.23 465.2066650 1.70 471.0498657 0.70 477.3482666 0.20 483.2520752 0.72 484.3739624 0.21 489.0273438 0.09 492.2805176 0.36 501.1233521 2.09 504.1914062 1.39 514.3514404 0.26 519.4624023 0.07 529.1444702 0.60 531.2962646 22.67 546.3074341 2.09 547.0895386 0.68 573.2427979 46.97 573.9236450 0.07 577.6960449 0.96 585.9190063 0.66 589.6737671 0.07 591.2731934 100.00 591.9257202 0.13 604.2488403 0.06 632.2547607 0.14 633.2809448 0.10 645.2721558 4.01 654.9724731 0.11 657.3745728 0.20 660.6583862 0.17 662.1162720 0.20 663.2564087 4.86 665.3322754 0.32 675.3508911 0.27 680.3727417 0.19 687.3156128 0.12 691.1616821 0.64 693.0505371 0.71 699.4385376 0.07 704.3538818 0.13 707.5897217 0.66 709.1262817 2.12 716.1184692 0.65 717.2517700 0.27 720.2736816 0.15 721.2410278 0.22 723.3597412 0.26 734.3129272 0.52 735.3940430 1.61 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 599.1611 Annotation Nocardicin C Peak:m/z Relative Intensity 173.1446991 0.09 182.0397491 0.03 224.4864807 0.16 246.2334290 0.08 248.9033051 0.12 262.2752686 0.07 267.2872314 0.18 275.1081238 0.14 299.0880127 100.00 300.1496582 0.06 303.2425537 0.10 306.2824707 0.07 314.1449585 0.09 316.3769226 0.09 337.6008301 0.05 341.5093384 0.06 346.2491455 0.09 348.4187622 0.10 361.5344238 0.11 369.3119507 0.28 372.7729492 0.15 378.4021606 0.12 379.2759399 0.04 388.3666382 0.11 405.4962769 0.40 412.4124756 0.14 415.3166504 0.09 417.2361450 0.21 418.0490112 0.15 419.2503662 0.13 422.4286499 0.06 423.2944946 0.19 433.1299438 0.13 436.1165771 0.11 437.0059204 0.05 440.1683960 0.08 449.4513550 0.07 451.1398926 0.06 458.0971069 0.14 461.1148071 0.07 462.6379395 0.04 466.8955688 0.06 470.2029419 0.05 478.2369385 0.23 489.4991455 0.05 495.1973267 0.05 501.6439819 0.07 509.3822632 0.05 510.7387085 0.13 511.3823853 0.15 534.6408691 0.26 535.3379517 0.09 536.1583862 0.05 538.2052612 0.18 539.3474731 0.42 540.6610107 0.27 551.0974731 0.04 552.3812866 0.48 553.4580688 1.33 554.3193970 0.40 555.1539307 0.50 563.1008301 1.74 567.9446411 0.05 569.0538940 0.24 570.5228882 0.20 579.9909058 0.54 581.2915649 2.37 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 957.47 Annotation Unknow Peak:m/z Relative Intensity 289.2093201 0.04 325.4552917 0.21 345.3461304 0.11 364.4116821 0.14 379.3982544 0.14 391.4566956 0.19 396.5924683 0.13 397.2060547 0.08 425.6220093 0.06 435.4829712 0.05 437.4232788 0.52 439.4430542 1.13 440.7239380 0.04 449.4464111 0.17 451.6220093 0.24 453.6107178 0.19 455.3900146 6.10 456.4445190 7.25 457.4478149 0.59 467.4373779 1.79 468.4747314 0.11 469.4985962 2.23 479.4182739 0.11 481.4365234 0.24 482.2852783 0.20 483.0756836 0.05 484.5470581 0.74 485.5059204 0.83 487.5259399 44.84 491.6430054 0.12 497.7818604 0.09 499.1566162 1.70 500.2396851 2.12 501.3557129 1.50 502.5109253 1.01 507.4691772 0.07 508.2979126 0.29 509.3320312 0.10 511.4126587 0.05 515.4215698 2.69 517.7840576 0.10 526.2572632 0.42 529.5579834 1.87 539.5322266 0.07 541.1536255 0.18 543.5665894 1.21 545.5101929 0.73 551.5115967 0.53 555.5245972 1.96 565.3836670 0.10 569.4933472 2.59 577.2941895 0.02 581.8494263 0.09 583.4512329 33.00 584.0982056 0.11 585.7085571 0.20 587.7143555 0.04 597.4146118 0.03 599.5429688 0.28 600.5457153 0.33 601.5639038 13.62 603.3276978 0.80 609.4811401 0.45 619.2659912 1.30 619.8712769 0.23 627.4409790 1.56 645.4860840 3.11 649.4150391 0.47 650.9295654 0.16 663.5775757 0.65 664.4909668 0.08 673.2811279 0.13 690.2026978 0.19 700.2445068 0.22 705.7504883 0.07 731.6853638 0.11 732.9747314 0.88 733.6527100 3.50 745.9016724 0.25 751.4494019 3.87 765.6060181 1.38 777.4462280 0.29 781.2708740 0.21 789.4589233 0.16 795.5453491 100.00 807.4796753 0.20 811.2385254 0.06 813.7110596 0.09 819.2224731 0.03 824.4887085 1.59 825.5587158 9.58 826.4923706 3.52 827.6056519 0.72 834.8239136 0.08 837.4148560 2.07 867.5319214 0.07 881.5424194 0.10 892.6177368 0.10 894.3226318 0.08 897.7119751 0.39 907.4071655 0.08 925.0830688 0.22 938.7929688 0.35 939.4628906 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 649.3591 Annotation Esculentoside E Peak:m/z Relative Intensity 227.3008423 0.03 240.0476685 0.05 262.6855469 0.02 289.5545654 0.13 303.4475098 0.31 328.1900635 0.07 343.2524414 0.97 345.3056641 0.02 381.5886841 0.04 391.4790039 0.07 409.4160767 0.06 411.2738647 0.07 413.9865112 0.05 415.4434814 0.04 427.3760986 0.32 435.5836182 0.04 441.5471802 0.03 443.3117676 0.34 445.4624634 0.63 455.5349731 0.02 459.3319702 0.02 466.2792969 0.02 471.4782715 0.02 472.5008545 0.18 473.2128906 0.49 473.9935913 0.12 477.4943237 0.07 479.6054077 0.06 480.7022095 0.04 486.3917847 0.03 487.4849243 0.24 492.3732910 0.08 497.2181396 0.06 499.2929077 0.12 501.1764526 0.03 519.4746094 0.02 520.2495728 0.07 521.2485962 0.14 523.2053223 0.08 531.4000854 0.13 538.6234741 0.13 541.5302124 0.74 549.2346802 0.05 553.4000854 1.50 554.9232788 0.13 556.7209473 0.16 557.4177856 0.02 559.4617920 0.32 560.2823486 0.03 563.4479370 0.04 570.2646484 0.06 571.4679565 4.48 572.5379028 0.06 573.8485718 0.10 575.4850464 0.11 577.1685791 0.28 582.2025757 0.08 587.2597046 0.23 589.3781128 100.00 590.0144653 0.29 595.5209351 0.01 598.2294312 0.07 599.4439087 0.29 602.1589966 0.02 603.2206421 0.36 604.4119263 0.05 605.3861694 0.13 606.2526855 0.29 607.4902344 4.04 608.8648071 0.03 613.2169800 0.49 614.4518433 0.04 616.2075195 0.22 617.3370972 0.36 618.6940308 0.01 619.6268921 0.03 624.7587280 0.06 627.0328979 0.20 630.7232666 0.87 631.4754639 2.55 633.9403687 0.26 635.1432495 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 543.1309 Annotation Galactotriose Peak:m/z Relative Intensity 182.1070251 0.23 201.0975037 0.13 219.1454773 0.58 232.8858948 0.07 286.8190308 0.13 289.8915100 0.12 297.3428345 0.23 309.1859741 0.18 321.1524048 0.12 332.8616333 0.11 363.0725708 20.00 364.5928345 0.10 371.1303711 0.14 371.7627563 0.23 379.0247803 0.16 381.1343384 100.00 381.9795532 0.44 429.2637939 0.14 453.1995850 1.06 458.6797485 0.30 473.8060303 0.06 483.4879150 0.42 506.5969238 0.18 524.3418579 0.34 525.3286743 0.62 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 705.1821 Annotation Lactulose Peak:m/z Relative Intensity 217.7070618 0.13 226.4942322 0.07 243.0785980 0.02 272.5314026 0.09 281.1493530 0.47 288.7890625 0.04 291.2196655 0.07 362.3441162 1.20 363.1982422 4.58 365.3981323 0.04 371.5451660 0.09 381.1494141 10.81 450.6248169 0.04 453.2634277 0.09 454.1315918 0.04 483.3070679 0.31 487.6329346 0.03 494.9699707 0.10 525.2127075 26.11 525.8961792 0.14 526.6224365 0.02 533.3046875 2.63 543.2265015 100.00 544.0651855 0.96 557.0653687 0.05 563.3285522 0.13 587.1053467 0.08 615.3275757 1.08 645.3876953 0.84 678.0462036 0.08 687.7291870 0.04 704.7695923 0.31 705.9528198 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 425.1662 Annotation Unknow Peak:m/z Relative Intensity 143.0581512 0.04 143.9488220 1.03 160.6009216 0.06 193.2693787 0.06 199.4126740 0.05 218.9695892 0.02 220.0992279 0.25 225.3928070 0.03 227.0009766 0.04 236.0884399 0.03 241.0613708 0.02 242.3066711 0.03 243.1774292 0.28 244.3413086 0.17 245.1964111 0.19 249.1553650 0.05 252.0450134 0.02 259.2579041 0.02 263.2145996 0.02 276.1909790 0.11 292.9903564 0.10 297.1400452 0.09 303.4519958 0.40 304.1984253 0.02 305.2987366 0.12 306.4263000 0.05 318.2858887 0.11 319.0589600 0.04 321.4025269 0.04 329.0173950 0.10 333.3276062 0.03 340.9760742 0.05 343.1397705 0.06 347.4514465 0.07 349.2178345 0.03 360.2803650 0.21 362.4759827 0.13 363.5991516 0.17 365.2237244 0.06 367.3688660 0.04 376.2009583 0.08 377.6339111 0.04 379.2012329 100.00 380.4605103 0.19 381.0744324 0.02 387.2169189 0.32 389.1888428 0.07 391.3523254 0.04 394.1169434 0.04 406.2614136 0.14 407.1328125 0.28 408.3949280 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 773.3815 Annotation Unknow Peak:m/z Relative Intensity 221.1764374 0.41 227.4009552 0.06 229.0908813 0.26 262.7161255 0.05 267.1553345 0.13 307.1079407 0.12 323.4400024 0.19 338.0848999 0.08 347.6311035 0.17 351.2727661 0.46 366.0082397 0.06 371.4522705 0.52 372.5448608 0.11 387.2969971 0.04 389.2761841 12.75 389.9552612 0.05 413.2784424 0.15 419.5512085 0.09 430.7850952 0.38 433.3734741 0.12 434.0487061 0.09 435.5240479 0.09 443.3701782 0.17 464.9426270 0.06 481.2050781 0.17 503.5034180 0.08 533.3718262 1.06 549.4624634 0.87 551.3674927 28.33 553.5526123 0.28 565.4452515 0.06 568.2069092 0.03 569.0394897 0.29 575.2927856 0.23 580.2094116 0.08 592.8947754 0.39 593.5136108 2.52 595.6276855 0.07 597.1865845 0.16 611.5164185 4.22 617.5382080 0.07 619.7395630 0.23 623.4680786 0.04 626.3519897 0.10 629.3522949 0.05 638.9880981 0.04 651.5653076 0.16 675.5430908 0.20 691.2713013 0.08 693.5158081 0.45 695.4348145 0.96 700.4902954 0.07 711.4278564 0.83 713.4589233 38.14 714.3693848 0.20 719.5462036 0.11 729.3345337 0.43 736.4307251 0.11 737.4845581 2.66 738.3800049 0.14 741.0355835 0.38 741.6633301 0.09 747.9960327 0.29 755.4462891 100.00 756.2272339 0.80 757.1762085 0.41 758.0863647 0.15 763.2197266 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 613.6 Annotation Unknow Peak:m/z Relative Intensity 185.1568146 0.21 189.2075043 0.07 211.1181488 0.06 213.2001953 0.39 214.9221039 0.03 217.0942230 1.44 218.1333313 0.17 227.1520996 0.07 233.0960846 0.04 234.1763000 0.03 235.1343689 0.21 243.2547150 0.04 245.2193756 0.18 249.2456055 0.17 252.3333740 0.12 256.8966064 0.10 265.2696228 0.04 279.1917114 0.16 282.9979248 0.10 291.7902527 0.08 296.0705872 0.63 303.0684814 0.17 305.2827454 1.69 306.3638000 0.85 307.3466187 0.34 308.7879639 0.30 309.4367676 0.18 314.2035522 9.88 315.2997742 0.67 320.1165161 0.04 321.4084473 0.16 332.1466064 7.24 333.1259155 0.25 340.2227783 0.24 345.0134888 0.13 346.5335083 0.14 355.4639893 0.04 356.2332153 0.29 357.3903809 0.08 371.2458496 0.16 373.0901489 0.59 374.2293701 0.43 374.8956909 0.19 376.5434570 0.07 387.4883423 0.32 389.4490356 0.33 391.3169556 0.09 392.8790283 0.18 394.1766357 0.03 397.3265991 0.31 398.6098022 0.22 405.9793091 0.04 408.2636719 0.13 412.7203979 0.23 415.0585938 1.82 415.7593994 0.26 416.5180664 0.33 423.1083374 0.35 424.2201538 0.06 425.1197510 0.07 430.7576294 0.76 431.4124756 0.15 433.2659912 4.03 434.1431274 0.31 436.2385254 0.25 438.2915649 0.13 441.3782349 0.17 442.3065186 0.10 446.2847900 0.06 447.8436279 0.06 448.6881104 0.03 451.1803589 0.24 455.1113892 0.64 465.5603027 0.05 470.7846680 0.61 471.5315552 0.10 473.0329590 0.38 478.7544556 0.03 480.1461792 0.04 484.2802734 0.14 485.4702148 0.12 488.3410645 2.70 488.9651489 0.09 492.5982056 0.16 494.4796753 0.26 496.7976074 0.11 497.5010376 0.37 498.1820068 0.29 501.4059448 0.11 506.9844971 0.08 511.4528809 0.14 515.2946167 0.23 518.8567505 0.04 520.4816895 1.31 521.7764282 0.03 523.9305420 0.47 526.0194702 0.43 526.7567749 0.09 528.9295654 0.57 530.1336060 0.41 533.3186646 0.40 538.0250244 1.57 546.3856201 0.16 547.0966187 0.04 552.7875977 0.06 554.6361694 0.31 558.8814087 0.06 562.3573608 1.04 563.6632690 0.13 564.5772705 0.03 567.9971313 2.73 568.9461060 0.71 569.9230347 0.55 571.2400513 0.60 574.0021973 0.53 577.5076294 0.17 580.1403198 1.02 580.8944092 0.35 581.5971069 0.15 585.0922241 0.16 586.3354492 0.35 587.1897583 1.94 587.8864136 0.18 592.7374878 1.11 593.5422974 0.23 594.8842773 1.36 595.5735474 0.74 596.1831665 0.45 597.4567871 0.04 598.7264404 0.53 600.0507812 0.25 601.8243408 49.70 602.6790771 0.45 603.8390503 0.51 604.6459351 0.06 613.8125610 0.07 616.3609009 0.16 621.8046265 0.99 622.5023804 0.02 630.4505615 5.17 633.4936523 0.33 646.9835205 0.12 651.4511108 0.29 660.4847412 0.30 662.1940308 0.66 664.0598755 0.09 666.4650269 0.17 667.7503662 0.52 669.1491089 0.23 670.3657837 0.28 672.3181152 0.18 675.4664917 0.07 679.2101440 0.26 681.1830444 1.30 685.8174438 0.19 686.4859009 0.13 695.5966187 1.24 701.6529541 0.17 702.6896362 0.03 703.9540405 25.90 705.2346802 0.15 706.5679321 0.30 709.9239502 0.11 714.6273804 0.54 718.0128784 0.58 724.3230591 0.44 727.3479614 0.06 727.9589844 0.42 728.8472290 0.11 729.5421753 0.09 730.3491211 0.03 731.1637573 0.47 732.1333618 0.83 732.8298950 0.52 736.7235107 1.43 737.4540405 0.10 738.5182495 0.04 740.4530640 0.77 745.6061401 12.13 747.1054688 0.27 748.1441040 0.38 750.9485474 0.12 754.5026245 100.00 755.6967773 1.00 756.4096680 0.22 757.3344116 0.30 759.5597534 0.15 763.5014038 0.67 764.8317261 0.19 765.4358521 0.05 767.3053589 0.04 778.7015991 0.14 788.2515869 0.11 794.0758667 1.63 800.3353271 0.04 803.0430908 1.43 816.4994507 0.15 822.2132568 0.16 836.5550537 0.04 842.9409180 0.18 846.4965210 0.60 848.5031128 0.10 849.3806763 0.24 850.7694702 0.04 851.7046509 3.52 852.5842896 0.09 854.2616577 0.20 860.4810181 15.14 861.1074219 2.15 862.1923218 0.19 864.4492798 0.10 868.0480957 0.08 877.5937500 0.18 878.3462524 0.29 879.7212524 0.23 892.7029419 0.14 917.1333008 0.10 939.4315796 0.14 957.2113647 0.26 961.4077148 0.39 962.2081909 0.12 971.1383667 0.21 975.3571777 0.41 976.5304565 0.03 979.7581177 0.09 985.6721802 0.09 1002.5087280 0.12 1003.5224000 0.09 1034.5854490 0.06 1039.2667240 0.32 1040.7830810 0.07 1046.8896480 0.08 1066.8608400 0.02 1072.8535160 0.33 1075.3720700 0.13 1076.3713380 0.08 1101.6704100 0.16 1106.7202150 0.10 1108.6140140 0.24 1109.3912350 0.21 1113.5373540 0.03 1114.2607420 0.42 1123.3540040 0.06 1134.3991700 0.10 1135.5979000 0.78 1139.2326660 0.05 1155.5483400 0.04 1157.5344240 0.11 1175.4841310 0.03 1179.3211670 0.17 1195.3090820 0.10 1225.5836180 0.20 1235.4232180 0.03 1242.6914060 0.14 1259.3941650 0.07 1272.7200930 0.07 1290.9943850 0.11 1292.0690920 0.06 1306.0163570 0.04 1322.6129150 0.35 1323.7725830 0.03 1349.3109130 0.10 1391.4008790 0.08 1394.6422120 0.31 1507.4808350 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 251.069 Annotation Gamma-Glutamylcysteine Peak:m/z Relative Intensity 75.8648834 0.84 83.8976440 0.84 86.8661423 0.54 96.9378967 0.09 100.7765656 0.03 102.0182343 0.09 104.8773956 1.85 106.1773834 0.03 121.8726959 100.00 129.9406891 11.38 147.7897034 0.29 161.8022461 0.03 168.9878387 0.08 179.0284882 0.09 180.1355438 0.07 185.9787140 0.04 187.0532990 0.22 188.0768280 4.16 192.0659637 0.04 205.0208588 1.54 206.6074829 0.16 213.0799408 0.02 215.0380249 0.46 216.2240753 0.03 221.0080414 0.14 232.9910889 7.75 234.0236664 20.92 234.9401245 0.21 242.2448273 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 299.02 Annotation Unknow Peak:m/z Relative Intensity 96.9815521 0.16 145.0061035 0.07 153.1617126 0.03 154.1357117 0.12 157.1768494 0.05 170.9887695 0.11 181.2971802 0.03 195.2478180 0.07 201.0935974 0.09 207.1964111 0.18 209.1043701 0.81 210.8860779 0.96 214.3281860 0.03 227.3453064 0.40 229.3217468 0.07 236.2326660 0.06 253.0247192 5.12 254.9937134 100.00 259.1273499 0.12 268.9686584 0.05 270.3591003 0.12 272.9645691 0.22 280.9811707 0.23 282.0771179 0.34 283.1028442 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1306.07 Annotation Unknow Peak:m/z Relative Intensity 455.6100464 0.06 483.3454590 0.06 501.4574280 0.59 543.0825195 0.22 569.5991211 0.12 629.5683594 0.03 647.8588867 0.19 689.4333496 0.08 758.3160400 0.23 793.4896851 0.36 809.6588745 0.32 851.2277832 0.29 937.6981201 0.06 955.4969482 1.53 979.8350830 0.06 997.5148926 100.00 998.5070801 1.97 999.1081543 0.10 999.9053955 0.27 1137.4825440 0.22 1155.3039550 0.19 1173.6542970 0.22 1175.4027100 0.39 1201.6845700 0.04 1243.7402340 0.39 1285.8103030 0.16 1287.4291990 1.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 969.4354 Annotation Basellasaponin A Peak:m/z Relative Intensity 291.1490479 0.26 292.3010864 0.17 471.4303589 0.11 472.5960083 0.10 513.6191406 0.08 553.4285889 0.09 563.6210327 0.10 568.6102905 0.08 569.4262695 0.04 572.5546875 0.03 579.3084106 0.04 581.5301514 0.08 585.5293579 1.71 586.6088867 0.20 597.8927612 0.06 603.5806274 0.10 621.6069336 0.10 625.3976440 0.14 627.7114258 0.09 629.6488647 0.20 630.4346313 0.04 633.3761597 0.05 643.4825439 4.91 644.4075317 0.64 647.4832153 1.68 648.5001221 0.29 669.5388794 0.10 685.8093872 0.04 687.1278076 0.01 687.7294922 0.08 689.6886597 0.05 701.2841187 0.12 705.6466064 0.08 735.6875610 0.03 745.4855347 0.18 746.5221558 0.29 747.3895874 0.03 750.8323975 0.09 763.5026245 2.91 764.4630127 0.52 775.7429810 0.05 787.4967651 0.12 789.3231812 0.07 791.5032959 1.44 792.2598267 0.19 805.5367432 12.48 806.5355835 1.65 807.6712036 0.53 809.5106812 72.12 810.5653687 8.43 813.7074585 0.02 820.7772827 0.05 821.4703979 0.36 823.3359375 0.08 837.5465698 0.39 849.4247437 7.63 850.4669189 0.87 863.4277954 0.30 864.8463135 0.03 865.5402222 1.73 867.5089111 34.21 868.5228882 3.25 879.6205444 0.03 893.5112915 0.03 894.1918945 0.09 897.2872925 0.29 907.5642700 0.52 908.6589355 0.16 909.3408813 0.66 910.4022217 2.12 911.4618530 0.21 925.4896851 100.00 926.5086670 13.04 951.4162598 0.70 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 947.2479 Annotation Kaempferol 3,4'-diglucoside 7-(2-feruloylglucoside) Peak:m/z Relative Intensity 265.1448669 0.03 266.8497620 0.02 287.2537231 0.31 296.1566467 0.05 300.8310547 0.05 302.1163025 0.13 303.1781616 0.10 304.1778564 0.04 307.1795044 0.04 309.9731140 0.03 313.4295959 0.06 315.0401001 0.02 315.9828796 0.02 317.1732178 0.25 321.4314880 0.05 325.1947021 0.08 329.0814209 0.16 330.2263489 0.34 331.2375793 0.23 333.0225830 0.02 338.5157166 0.03 340.2025452 0.07 344.1442261 0.62 345.1602783 2.06 346.1899109 0.24 347.2204590 0.10 352.1172180 0.04 354.2824402 0.05 355.2959290 0.02 356.5784912 0.03 367.2380981 0.08 369.3991699 0.10 374.3274536 0.12 375.1157227 0.05 383.9675903 0.05 386.0596313 0.10 387.0650940 0.40 387.7763062 0.02 407.3794861 0.03 413.2024536 0.08 415.3990479 0.06 426.9891968 0.02 435.2874146 0.03 437.3704224 0.03 439.3895264 0.08 453.3185425 0.19 454.0944214 0.02 455.3691406 0.04 465.1470947 0.03 469.1013794 0.17 471.4927368 0.07 476.0169067 0.07 483.1555176 0.07 497.3804321 0.03 501.2288818 0.09 502.2977905 0.04 507.0128174 0.04 519.3694458 0.20 520.2030640 0.08 545.3703003 0.13 561.3386841 0.02 601.3388062 0.84 602.3125610 0.20 619.5100708 0.07 623.5593872 0.12 633.3446655 0.40 634.3439331 0.23 635.4140015 0.02 636.2587891 0.08 637.3577271 0.10 640.2490845 0.19 651.3667603 0.88 652.1908569 0.21 653.2207642 0.03 659.5907593 0.03 669.3829956 0.71 670.3949585 0.20 704.6863403 0.08 726.6428833 0.16 751.6926270 0.06 757.4028931 0.05 758.1981201 0.07 760.9732056 0.06 765.4301147 0.01 768.8054810 0.23 769.4142456 1.22 770.2290649 0.44 771.1163940 0.16 771.8563843 0.11 772.5736694 0.08 783.2855225 20.80 784.2923584 8.41 785.2797241 0.25 786.2711792 0.03 787.3451538 0.13 797.3735352 0.22 798.1005249 0.30 801.2645874 100.00 802.2775879 37.35 802.9626465 0.22 815.3152466 1.27 816.3519287 0.59 827.2493286 0.36 828.3193359 0.45 868.7132568 0.08 888.8240356 0.13 906.5668335 0.03 915.4761963 0.27 916.3262329 0.13 920.1696167 0.13 929.3883667 0.45 930.1585083 0.02 932.1804810 0.52 933.1583862 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 541.3013 Annotation Salvigreside C Peak:m/z Relative Intensity 175.1192017 0.10 240.9015808 0.01 249.2324829 0.04 285.3592224 0.01 299.4662476 0.01 303.0148315 0.01 325.2780762 0.21 330.4102173 0.03 345.2456055 0.01 347.0719604 0.03 349.4687500 0.01 360.2894897 0.02 361.4249268 0.01 362.3516235 0.01 365.3040771 0.06 374.2569580 0.01 389.4731445 0.03 390.4415283 0.02 393.5992432 0.02 400.1036987 0.05 407.5483398 0.02 445.6218262 0.01 451.3267212 0.04 455.2451782 0.05 459.3668213 0.02 462.4991455 0.04 464.3338013 0.01 465.2275391 0.04 466.5722656 0.04 477.6148071 0.18 478.3820190 0.03 480.5364380 0.01 495.3417969 100.00 496.3939819 5.13 503.0722656 0.01 505.3265991 0.04 506.0338745 0.04 509.5913086 0.02 523.6688843 0.06 524.5021362 0.03 525.4918823 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1007.2682 Annotation Unknow Peak:m/z Relative Intensity 286.1084900 0.05 287.1944580 0.77 288.2539062 0.07 296.8269958 0.05 301.5361328 0.21 302.2563782 0.16 312.0850830 0.01 315.1324463 0.08 323.2276306 0.06 326.1792603 0.01 328.0354309 0.02 330.0761719 2.28 331.2427979 0.18 338.1665649 0.03 343.2633667 0.04 345.1360168 9.81 346.1447144 1.36 359.2713318 0.04 370.1522217 0.03 372.2893066 0.03 383.4293823 0.06 387.2851562 0.26 388.0245056 0.01 397.2829590 0.05 398.2548218 0.01 411.5498047 0.02 412.2536011 0.01 425.1820068 0.05 426.3328552 0.03 439.2743530 0.05 485.1920776 0.64 486.3644409 0.06 489.2606812 0.13 499.2574463 5.89 500.2383423 0.48 501.2175293 0.02 507.2270203 0.71 508.2056274 0.24 567.7476807 0.01 647.2259521 0.08 651.3301392 0.10 652.2319336 0.18 661.2216187 0.09 665.3165283 0.05 669.2502441 2.34 670.3058472 0.71 683.2952881 0.24 684.4661865 0.12 693.4965210 0.04 711.1259155 0.36 712.4938354 0.04 753.3122559 0.07 813.4870605 0.12 814.4602051 0.12 817.3377686 0.01 831.3417969 0.24 832.1413574 0.04 832.7858887 0.04 845.2382812 100.00 846.2762451 28.97 847.0161133 0.02 859.0582275 0.04 869.2432861 0.67 870.2847900 0.13 887.1998291 4.75 888.3071289 1.76 896.1281738 0.04 899.3540039 0.08 911.1335449 0.11 912.2066650 0.10 917.3969727 0.02 927.2485352 0.01 929.2137451 0.01 930.1467285 0.04 942.5711670 0.02 953.3305664 0.06 954.1099854 0.03 971.0041504 0.11 971.6770020 0.03 972.6396484 0.01 976.3151855 0.01 980.5402832 0.02 987.3057861 0.01 989.4423828 1.10 990.4953613 0.19 992.0679932 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 542.73 Annotation Unknow Peak:m/z Relative Intensity 206.9385986 0.58 223.0942993 0.06 290.7546387 8.74 293.3996582 0.05 334.8656006 0.14 339.1011963 0.09 368.5666504 0.02 373.0872192 0.02 374.6768188 6.10 376.8555908 0.02 380.8746948 0.04 387.3453979 0.02 390.9600220 0.14 399.0210571 0.21 406.8208618 0.18 422.7268677 0.42 428.9509888 0.02 436.7786255 1.20 452.7742310 0.24 454.5618286 0.03 456.1937256 0.07 458.5834961 100.00 459.3569946 0.23 466.6591187 0.03 473.8074341 0.05 474.8260498 0.03 478.7025146 0.39 479.3616333 0.01 482.6416626 2.94 483.2683105 0.04 496.5194702 0.70 497.1585693 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 763.2791 Annotation Unknow Peak:m/z Relative Intensity 237.2408752 0.20 242.8598633 0.15 245.2231750 0.12 256.3249207 0.29 264.8915100 0.10 281.1827698 0.31 301.3347778 1.57 302.3751831 0.33 311.2847290 0.13 319.3823853 0.10 328.4442139 0.25 339.3366089 0.64 341.5109253 0.12 343.0681152 0.09 356.3785400 0.12 359.1542969 0.12 367.2758789 0.36 369.3425293 0.09 371.2648315 0.13 387.5407715 0.14 392.5313721 0.28 405.4086914 0.15 406.5988159 0.27 410.5968018 0.47 411.3062744 0.40 413.3666382 0.09 423.3563843 0.12 424.3031006 0.28 441.9924927 0.25 443.1964722 0.12 447.5041504 0.04 455.1176147 0.07 463.4532471 0.26 469.0046387 0.05 471.7005005 0.22 474.1281128 0.14 476.5460815 0.31 482.3367920 0.22 492.4401245 0.45 506.2165527 0.36 507.2091675 0.15 514.3237305 0.28 522.3536377 0.17 524.1512451 0.05 550.0100098 0.06 551.6178589 0.11 559.2163696 0.29 568.5090942 0.28 573.8892822 0.29 577.7537231 0.13 582.3820801 0.26 585.4306030 0.18 586.1861572 0.51 587.3193970 0.19 600.1586914 0.10 601.4093628 0.54 605.6809692 1.96 606.3233643 1.36 607.1692505 0.08 608.4670410 0.39 610.3386841 0.23 613.0448608 0.09 615.2314453 0.18 618.2046509 0.33 624.3858032 0.30 627.4970093 0.59 630.4956055 0.38 636.4281616 0.19 640.4036255 0.75 641.3919067 0.64 643.4287109 0.60 645.1436157 0.10 655.6477661 0.06 664.1185303 0.14 664.9758301 0.39 669.1683350 0.04 672.1724243 0.06 674.3040771 1.00 675.9918823 0.25 681.0959473 0.41 682.5020142 0.50 686.2166138 0.41 688.4219360 0.23 690.2355347 0.16 694.0698242 0.34 695.1435547 0.37 700.4550171 0.49 702.4396973 0.55 703.3795166 0.21 708.4242554 0.19 711.3439331 0.15 712.2894287 8.27 713.1326294 13.64 713.7888794 0.72 717.4370728 0.09 718.5408325 0.52 719.3335571 0.22 720.7707520 0.17 726.2882080 2.46 727.2293091 1.29 730.2891846 7.20 731.3359375 3.98 732.0401611 0.36 733.3242188 0.20 744.3927612 29.75 745.3334351 100.00 746.7158203 0.12 764.0549927 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 730.5488 Annotation Unknow Peak:m/z Relative Intensity 227.1527710 1.22 228.0894012 0.03 229.2408142 0.07 232.2324677 0.03 233.4718933 0.13 234.1863098 0.04 235.1017914 0.15 238.0675964 0.25 254.2684937 0.10 261.4965820 0.12 263.1769409 0.32 281.2558899 0.13 284.7641296 0.08 290.8494873 0.07 296.0522766 0.04 314.9281921 0.04 326.2094116 0.60 327.1462708 0.18 334.2877808 0.04 349.3175049 0.19 364.3062744 0.11 374.1317749 0.04 375.0468750 0.28 395.2282104 0.05 402.6316528 0.09 417.9265747 0.02 452.1910400 0.05 460.1612549 0.18 465.2147217 0.10 479.2743530 0.06 482.2894897 0.16 483.4208984 0.23 485.3823242 0.04 491.2555542 0.09 497.3098755 0.17 498.5439453 0.10 514.3855591 0.09 515.6159668 0.27 522.0092163 0.06 526.3667603 0.18 527.2744141 0.04 546.5814209 0.09 547.2107544 0.04 548.2763672 0.14 554.2988281 0.38 555.4041138 0.35 557.7189331 0.14 591.1601562 0.08 593.1840210 0.13 596.7313232 0.12 597.6486206 0.09 611.2344971 0.03 638.2534790 0.54 643.2138062 0.19 659.6797485 0.71 663.3380737 0.20 669.4791260 0.21 670.3701782 0.25 671.5451660 0.31 674.7919312 0.34 675.7086182 0.48 678.1806030 0.03 678.8831177 0.76 686.4219971 0.10 687.2495117 0.87 689.9804688 0.57 692.1039429 1.13 692.8251343 0.28 694.7659912 0.66 695.5828857 1.21 697.5851440 0.22 698.6035767 1.02 699.2583618 0.41 703.1243896 0.04 704.2945557 0.04 705.8466797 0.36 707.9992065 0.24 712.8675537 0.13 715.4830322 0.30 717.4782104 0.17 719.6694946 2.01 720.5234985 0.89 722.4284058 0.07 727.5646973 0.12 751.6193237 0.18 769.5499268 0.36 770.6960449 0.24 778.0977783 0.06 780.1510620 0.27 783.3887329 0.32 786.7649536 0.04 791.4420776 0.16 793.5314331 0.14 794.1594849 0.39 798.7940063 0.87 799.8294678 0.14 801.4257202 0.37 802.6191406 0.47 808.2797241 0.86 809.2427368 0.82 810.1859741 0.09 811.1365967 0.63 812.6155396 0.17 814.3787231 0.37 816.5443726 0.70 818.9146118 0.27 821.1987915 0.28 822.9244995 0.57 825.1949463 0.24 825.8338013 0.10 826.6546021 0.11 832.0842896 0.36 833.8472290 0.16 835.8410034 0.22 837.7081909 0.14 839.4934082 0.10 845.1293945 0.76 846.2448120 0.24 846.8966675 1.11 847.5650635 1.00 849.2029419 0.46 849.9807739 2.02 850.7482910 0.33 852.4196167 0.04 853.2274780 0.73 854.9751587 0.62 855.7644653 0.19 857.1195068 0.55 859.6275024 0.74 860.5140381 1.22 861.6397095 0.66 865.5970459 8.88 866.3500366 7.89 867.8733521 0.44 871.1943359 0.62 872.0266724 0.16 875.9387817 0.33 877.3385620 0.57 880.5437622 0.51 881.6875000 1.20 884.1588745 0.85 885.0857544 0.35 886.7824707 4.75 887.7157593 1.84 889.3693237 0.08 890.1456909 0.38 891.1928101 0.04 892.7773438 4.98 893.5844727 4.01 894.6403198 0.18 895.3977661 0.17 896.6901245 0.83 898.3650513 10.55 898.9816284 100.00 900.0023804 2.10 901.0726929 1.15 903.4003296 2.49 904.1979980 0.21 905.9096069 0.49 907.2079468 0.44 911.1677856 0.07 912.9109497 0.23 915.9334106 0.42 917.1439819 0.06 919.1685181 0.33 921.0608521 0.13 921.9714355 0.84 923.9644165 0.07 925.5885620 3.73 926.2599487 2.47 927.3096313 0.69 930.7731934 1.45 931.3957520 0.37 932.3291626 0.09 935.2201538 0.50 936.4014282 5.96 937.1809692 2.91 937.8672485 0.23 941.3766479 4.52 942.1146851 1.12 942.9053345 0.12 943.5209351 0.40 946.1318359 0.11 950.9003296 1.20 964.7927246 0.39 977.2953491 0.21 985.2050171 0.20 991.2726440 0.11 1000.4292600 0.02 1026.9628910 0.27 1027.7241210 0.29 1031.9691160 0.12 1047.1606450 0.04 1048.0617680 0.18 1049.6437990 0.66 1051.1612550 0.18 1062.6872560 0.16 1067.1621090 0.13 1076.4688720 0.31 1089.5808110 0.22 1091.4820560 0.13 1099.0948490 0.63 1100.2681880 0.32 1106.5446780 0.70 1107.7036130 0.25 1112.6828610 0.16 1119.6839600 0.29 1131.8881840 0.73 1134.4851070 0.11 1139.4116210 0.21 1149.5825200 0.15 1153.2252200 0.23 1153.9270020 0.02 1156.6903080 0.88 1166.9851070 0.40 1167.6601560 0.31 1173.4744870 0.16 1181.0585940 0.07 1190.2456050 1.37 1191.3234860 0.71 1203.1190190 0.92 1209.5454100 0.05 1212.7639160 0.15 1215.9899900 0.37 1216.9179690 2.17 1217.6983640 0.55 1224.0570070 0.08 1226.4764400 0.14 1234.5612790 0.40 1238.6655270 0.76 1252.6339110 0.09 1255.4688720 0.07 1256.8177490 0.12 1260.6407470 0.10 1265.5932620 0.45 1266.7171630 0.69 1269.6660160 0.04 1270.6402590 0.17 1272.5290530 0.37 1274.1022950 1.14 1275.2221680 1.35 1298.3543700 0.76 1332.5671390 0.14 1345.3336180 0.13 1352.8861080 0.33 1396.6063230 0.19 1410.6536870 0.21 1429.1165770 0.12 1433.0260010 0.19 1442.5795900 0.09 1464.4129640 0.13 1507.5368650 0.03 1554.3328860 0.05 1577.7122800 0.11 1626.8337400 0.20 1639.6466060 0.08 1649.7346190 0.03 1661.4831540 0.12 1679.6384280 0.12 1687.8952640 0.07 1689.9940190 0.04 1697.9322510 0.12 1700.9914550 0.05 1703.6143800 0.07 1715.7803960 0.04 1755.8258060 0.03 1778.8238530 0.25 1812.6170650 0.14 1830.5974120 0.06 1831.6442870 0.12 1868.1348880 0.20 1874.7985840 0.14 1883.9157710 0.02 1884.8604740 0.14 1894.8088380 0.11 1899.5028080 0.15 1935.6988530 0.14 1940.5506590 0.06 1942.0902100 0.25 1968.0544430 0.04 1979.6951900 0.09 1982.9327390 0.04 1995.5710450 0.13 1998.8907470 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 562.3146 Annotation Unknow Peak:m/z Relative Intensity 185.0528717 0.01 220.8060760 0.03 242.1784973 0.10 277.3666382 1.94 302.1568604 0.04 336.5682983 0.04 339.5850830 0.01 355.2688599 0.02 365.7999268 0.02 405.9115601 0.01 431.3879395 0.04 457.4134521 0.05 466.2698975 0.09 475.6833496 0.01 477.5257568 0.14 481.6716919 0.01 484.2456665 0.03 490.3016968 0.01 502.3415527 100.00 503.3152466 0.34 504.0140991 0.01 508.6799927 0.01 515.3262329 0.05 516.3999634 0.10 517.4038086 0.01 523.4230957 0.01 525.4063721 0.03 526.1897583 0.05 544.0485840 0.02 563.9913940 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 452.2781 Annotation PE(16:0/0:0) Peak:m/z Relative Intensity 139.9974976 0.12 152.9187317 0.25 165.0943909 0.02 170.9535828 0.03 182.9233856 0.02 196.0787964 2.14 197.7195435 0.01 214.1898804 1.30 237.1943665 0.05 242.4699402 0.01 255.2717285 100.00 256.0035095 0.19 259.3125916 0.03 279.2084656 0.01 281.4262695 0.01 284.1914978 0.01 314.8445129 0.01 329.2368164 0.03 338.3680420 0.03 350.0527954 0.03 352.4732971 0.01 359.3649597 0.05 360.2065735 0.01 361.5194702 0.02 366.7257690 0.03 375.3081665 0.01 380.0524292 0.03 384.0911255 0.03 387.5948486 0.05 391.3592834 0.53 405.4226990 0.16 406.2456665 0.08 407.6905212 0.13 408.6188049 0.02 409.2410889 0.01 410.2826233 0.03 411.1857605 0.03 414.4996948 0.04 416.0530090 0.04 423.2044983 0.04 433.9091492 0.17 434.5814209 0.02 435.2300415 0.03 436.4925537 0.04 448.3365784 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 455.0972 Annotation Flavin Mononucleotide Peak:m/z Relative Intensity 139.0725708 0.32 165.1613312 0.12 168.9896698 0.23 180.9925537 6.76 199.0076447 24.06 211.2391052 0.19 213.0614319 100.00 231.0154877 0.32 241.1028748 5.91 243.2211914 1.36 246.0810852 0.38 255.2605591 0.30 258.9543457 0.99 261.0736694 0.36 267.0684204 0.35 279.1645508 2.14 289.1390991 0.51 297.2324219 0.31 311.0766296 0.10 315.1775818 0.07 327.2798462 0.38 335.1338196 0.26 340.8193665 0.32 349.3167419 0.26 357.1686096 13.56 364.3201294 0.32 367.5019226 0.44 376.3236389 0.10 381.5268860 0.33 382.9759521 0.10 389.3182373 0.12 391.4543762 0.24 394.9440308 0.20 396.6682434 0.52 404.2787170 0.29 407.7480164 1.29 409.2100525 9.34 410.5839233 0.50 411.2881165 0.31 412.1114197 0.63 419.2175598 0.40 420.9888611 0.07 426.4942932 0.19 436.4574585 0.94 437.2176819 9.76 437.9158020 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 307.17 Annotation Unknow Peak:m/z Relative Intensity 87.8632965 0.14 111.0775604 0.04 114.7180481 0.05 116.9042206 0.02 117.9321136 0.07 119.1053772 0.03 124.1802826 0.07 124.9187088 0.15 127.7656784 0.07 129.9363098 0.11 131.9550323 0.05 133.9806824 0.25 137.1877136 0.07 141.0891113 0.03 144.0299988 0.83 145.8389893 0.05 147.3952026 0.07 151.1022644 0.05 159.0778503 0.06 159.9392395 0.03 161.0976562 0.04 162.8459625 0.04 165.2702942 0.03 167.3161621 0.07 173.9803162 0.40 174.9971771 0.16 175.9903717 0.04 176.9708710 0.06 180.5056458 0.04 182.0268860 0.03 187.1176147 0.13 188.0116577 0.06 189.1315155 0.10 191.0483246 0.06 193.0026550 0.08 193.9330750 0.15 195.1196747 0.02 196.2116699 0.38 196.8164673 0.03 201.0392761 0.08 205.3212891 0.07 209.0516052 0.03 211.0636597 0.07 213.2479248 0.86 215.1892700 43.52 216.1077576 0.15 219.0989685 0.04 219.7227478 0.04 220.4747009 0.09 221.1638184 0.06 222.2525330 0.07 225.2612305 0.06 230.7528076 0.02 233.2750549 0.02 235.4367065 0.12 237.0362244 0.17 240.0678711 0.10 241.3919373 0.03 243.1484070 100.00 244.0356445 0.74 247.2039795 0.23 250.3308105 0.04 251.2212524 0.04 255.3551636 0.04 256.9587708 0.23 258.1914062 0.11 259.1157227 0.08 261.4566345 1.10 262.1876831 10.47 263.2835388 0.11 265.0485229 0.08 266.0247803 0.18 266.9553833 0.30 268.3466797 0.07 269.4786377 0.02 270.0883179 0.04 271.2203369 0.04 273.1441650 0.09 275.4399414 0.27 276.9003601 0.13 279.3221436 0.22 281.6961670 0.15 283.4075928 0.23 284.2416687 0.21 286.3353271 0.14 288.5626221 0.57 289.2037354 3.64 291.8480835 0.29 292.4750061 0.04 298.0574341 1.78 298.7874146 0.07 300.4351196 0.12 307.4526672 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 995.451 Annotation Unknow Peak:m/z Relative Intensity 455.3674927 0.96 469.6317139 0.18 543.2059326 0.07 555.7027588 0.63 569.5013428 2.72 579.7373047 0.08 587.6635742 0.16 613.7154541 0.08 627.5697021 3.75 631.4224854 0.50 655.6810303 0.16 669.7463379 0.26 693.5814819 0.13 717.2794189 0.27 747.7319336 0.65 783.4519043 0.22 785.5106201 0.19 802.4053955 0.21 817.5589600 2.43 831.5993652 19.27 835.5426025 81.64 836.2687988 0.33 857.4210205 0.12 863.4975586 0.37 875.5673828 8.10 889.4981689 0.06 891.3173828 1.27 893.4815674 31.90 923.4635010 1.11 933.4520264 0.30 934.3956299 0.88 936.1478271 0.95 936.8905029 0.33 949.4770508 0.36 951.4819336 100.00 952.1938477 1.01 967.4382324 0.49 977.0817871 0.49 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 461.1663 Annotation Verbasoside Peak:m/z Relative Intensity 136.9016724 0.06 145.1091919 0.39 146.1413727 1.74 157.1314392 0.06 160.9480133 2.08 163.1909637 0.23 164.1158752 2.65 165.8398132 0.05 167.3255005 0.66 179.0161743 56.20 185.2226257 0.16 193.2321014 0.14 205.0493622 0.07 227.3394012 0.04 235.0816650 2.02 236.1004639 0.15 249.2889099 0.33 253.0619812 0.27 255.3041992 0.24 279.0722656 0.68 280.2429199 1.70 281.1697693 0.38 296.2702942 0.14 299.2311096 0.21 311.2348633 0.13 321.5952759 0.07 326.2115479 0.39 329.0719910 0.09 340.2431030 0.07 341.2842102 0.31 369.1753540 0.44 376.9473572 0.11 379.3977661 0.18 381.2398987 0.10 382.8115540 0.48 387.0813904 0.09 415.0809021 100.00 415.7676697 0.35 417.0580139 0.87 417.6900024 0.06 420.1425476 0.48 429.1696472 0.38 443.0961304 1.44 444.1448059 0.12 446.2760620 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 199.1912 Annotation Guanethidine Peak:m/z Relative Intensity 59.9077835 7.19 69.0552979 0.09 71.9310150 20.66 82.1764374 0.05 82.8924408 0.09 84.8277435 0.04 85.9556885 2.22 88.8874054 10.18 96.0121307 0.14 97.0282745 2.80 111.0605469 0.37 114.0447540 58.38 122.0039673 0.05 125.8898163 0.12 128.0493927 100.00 131.0182953 10.95 137.1144867 0.13 139.9477539 0.10 153.0379791 0.20 155.2704010 0.06 157.4006500 0.04 163.2146454 0.21 164.2092133 0.14 171.1018677 1.53 182.0658112 80.76 182.7098541 0.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 462.1612 Annotation (1S,4R)-passicapsin Peak:m/z Relative Intensity 179.0964355 0.11 227.1670074 0.05 243.2925720 0.15 252.9710388 0.07 288.0157166 0.06 300.1295776 0.08 306.0924988 0.35 310.8973389 0.24 325.3491821 0.14 328.0987549 0.12 329.4601135 0.05 347.5556641 0.04 364.3137207 0.14 368.2330933 0.06 370.1903992 0.05 387.2616882 0.08 399.2496643 0.09 402.5635376 0.14 403.2443542 0.14 413.3179932 0.08 416.2576599 100.00 418.1051941 0.14 419.8504333 0.13 425.2742310 0.06 426.3118591 0.18 442.0352173 0.27 443.1893005 0.25 444.5296631 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 464.73 Annotation Unknow Peak:m/z Relative Intensity 212.9532776 0.07 262.3190002 0.05 263.1398621 0.06 281.0706482 0.19 296.8207397 0.17 326.3603210 0.19 328.2042542 0.09 345.2242432 0.04 364.5267334 0.13 380.7475281 100.00 381.4571838 0.31 388.9834900 0.32 392.8706360 0.06 395.6157532 0.11 397.0588379 0.31 419.4940796 0.27 420.8192139 0.11 428.5303040 0.02 429.1470642 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 591.2614 Annotation Pheophorbide a Peak:m/z Relative Intensity 177.0278015 0.08 269.0736389 0.07 367.1298828 0.29 399.5680542 0.19 443.4717407 0.06 447.5112915 0.12 475.6494751 0.05 478.3002930 0.08 495.4968872 0.30 505.4478760 0.05 513.6644287 0.16 515.3719482 53.88 516.4509888 80.54 517.6737671 0.08 519.3082886 0.42 520.3806763 0.26 532.8434448 0.57 533.9009399 0.12 537.5809937 0.41 539.8585205 0.05 545.4577026 0.39 547.3541260 6.86 548.4504395 5.46 555.2313232 0.19 559.1904907 75.82 560.2135620 100.00 560.8411255 0.50 573.5393677 0.52 574.2767944 0.33 576.3856201 0.17 583.3707275 0.24 591.1386719 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 661.2512 Annotation 11alpha-Azadirachtin H Peak:m/z Relative Intensity 231.1083679 0.01 249.1276550 0.02 266.9545288 0.03 286.3467407 0.02 287.4076538 0.02 296.1830444 0.02 317.4789734 0.04 319.4193115 0.06 320.2910156 0.03 323.3811646 0.10 331.1725769 0.04 340.9815674 0.01 347.3764648 0.02 355.1550903 0.01 359.2407837 0.04 386.3959961 0.02 390.8780518 0.11 403.1977539 0.02 410.2498169 0.08 412.2087402 0.01 417.5894165 0.02 421.3595581 0.17 432.4489136 0.01 448.0098267 0.01 456.0726318 0.03 460.5975952 0.06 463.3907471 0.02 472.5640259 0.03 478.2459106 0.01 480.3228760 0.04 481.9220581 0.15 482.5306396 0.19 483.4751587 0.10 485.2190552 0.03 489.3378296 0.02 493.0488892 0.03 494.4265137 0.04 497.3364868 0.02 499.4630127 0.04 504.4140015 0.20 538.1210938 0.02 539.6647949 0.10 541.6610107 0.03 557.5664673 0.02 558.5420532 0.02 559.6846313 0.03 561.0711670 0.01 565.2638550 0.04 569.5100708 0.03 572.3331909 0.15 573.4645386 0.36 574.6035156 0.01 575.3787231 0.02 581.3507080 0.06 584.1259766 0.03 585.3097534 0.08 587.4990845 0.02 597.0259399 0.01 598.5759277 0.08 599.2769165 0.03 600.9256592 0.15 601.5955200 0.00 608.5888062 0.01 611.5820923 0.10 615.6019897 0.01 617.3016968 100.00 618.6098633 0.03 623.4783325 0.01 624.4451294 0.04 625.3675537 0.14 629.3271484 0.76 631.6261597 0.02 635.6218872 0.05 638.3171997 0.02 639.2557983 0.02 643.2050781 1.28 644.2704468 0.08 645.5969849 0.03 651.3051758 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 519.1717 Annotation Asystasioside C Peak:m/z Relative Intensity 147.1356506 0.33 149.0946960 1.45 158.1588745 0.33 159.9395447 2.82 161.0496979 2.69 163.0510101 3.51 173.2075500 0.28 175.0118256 7.26 175.9649811 0.38 178.0063477 6.68 178.7727966 0.44 181.0361023 1.53 191.1755066 1.98 191.8368530 0.20 193.0533447 100.00 194.0827637 0.14 205.1097107 3.22 207.0534973 1.59 217.0272217 2.14 219.0566254 0.20 219.8257141 0.59 233.2870636 0.14 235.0658264 31.37 235.8479919 0.32 241.1120911 0.16 245.1517639 0.64 246.1413574 0.16 247.2189941 0.62 249.1726379 1.41 250.0476990 0.29 251.0965576 0.96 252.2470093 0.62 254.2124939 0.38 259.0770874 0.77 265.0830078 17.63 267.0194092 0.33 268.2085266 1.74 277.3324890 0.11 281.0996704 0.21 289.4327393 0.14 295.1876221 26.47 307.2660522 0.62 322.9511108 0.60 325.2176514 30.25 326.9974976 0.59 335.0983276 0.13 337.3231812 3.41 339.4410400 0.13 343.1853027 3.72 355.1849365 9.22 357.5150146 0.22 367.0461426 0.76 374.4014893 0.16 382.3835449 0.09 399.0995483 0.37 401.1065063 0.35 412.2575073 0.55 421.0438232 1.39 425.1985474 0.15 431.6226807 0.38 444.4134521 0.38 445.4388428 0.24 465.3724365 0.16 472.2319336 0.09 473.3235474 0.45 481.5307007 0.20 482.9268188 0.09 485.4854736 0.29 486.2631226 2.60 489.0028076 0.18 500.1928101 1.59 501.3099976 0.99 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 525.3073 Annotation Salvigreside B Peak:m/z Relative Intensity 158.9969025 0.28 301.1810913 0.10 319.3070679 1.90 362.3118896 0.05 393.5695801 0.03 435.5585938 0.02 460.2355347 0.12 461.4542236 0.16 477.1722412 0.09 479.3688354 100.00 480.0096436 0.18 481.4918823 0.03 507.2984009 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 738.93 Annotation Unknow Peak:m/z Relative Intensity 241.0605774 0.39 262.3858948 0.04 280.3674927 0.05 282.3724976 0.02 310.8725586 0.02 323.1434937 10.23 328.8871460 0.02 359.0042114 1.04 361.1842651 0.04 377.0261841 0.48 405.7173462 0.09 423.1271362 0.04 441.1222534 0.37 458.9665527 2.04 466.9190063 0.58 470.7832642 0.03 483.1195068 0.28 488.9548950 0.06 491.2950439 0.07 493.8906860 0.08 495.0731812 1.17 497.2631226 0.07 512.9583130 0.03 560.0845947 0.44 563.2293701 0.06 564.7453003 1.43 568.7958984 0.06 570.4240112 0.36 577.0514526 0.31 582.6823120 0.21 585.1823120 1.33 602.9337769 100.00 603.7509155 1.36 619.0264282 0.68 640.6094360 2.31 642.6550903 0.05 644.7583618 0.03 646.5435181 0.10 648.9755249 0.03 650.7190552 0.24 651.6141968 0.27 652.7628784 2.39 654.0878296 0.73 654.7097778 10.03 655.6013794 0.09 656.7113037 0.02 658.8096924 0.03 660.4565430 0.07 664.2592163 0.17 680.4829102 0.07 692.8000488 0.04 696.0051880 0.14 700.8895264 0.05 702.5110474 0.05 715.0010986 0.20 720.8402710 1.95 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 728.88 Annotation Unknow Peak:m/z Relative Intensity 229.1538239 0.19 273.0697937 8.62 382.1890259 0.05 386.4371338 1.12 387.0538330 8.84 468.7648926 0.03 499.2736816 0.74 500.9670410 67.69 503.3157349 0.09 573.1129761 0.37 607.0457764 0.26 607.8281860 1.26 608.9723511 0.64 610.0415039 0.10 611.9876099 0.10 613.1947632 1.03 614.8186035 100.00 615.7291870 0.48 617.0541382 0.20 625.8522339 0.90 626.7535400 1.55 628.0038452 0.04 643.6239624 0.09 645.0230103 0.05 652.3914795 0.04 653.8522339 4.62 654.9387207 5.06 655.9421997 1.94 667.0278931 0.05 671.9118042 1.23 672.8931274 2.00 673.9576416 0.96 681.8996582 2.30 683.0645752 1.27 683.9489136 0.16 685.2875366 0.19 696.5318604 0.11 700.0244751 0.27 710.9151611 0.51 745.0529175 0.13 842.7908325 0.19 955.5307007 0.05 956.8226929 0.32 1029.0336910 0.11 1070.4663090 0.27 1078.3632810 0.04 1183.5997310 0.39 1184.6860350 0.34 1188.5827640 0.10 1193.6582030 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 554.64 Annotation Unknow Peak:m/z Relative Intensity 212.8701782 0.54 213.7091370 0.01 214.9254913 0.03 222.9959717 0.03 225.1416626 0.01 226.9996338 0.02 232.0070190 0.13 234.0700836 0.03 292.7887878 0.06 295.9119263 0.06 298.9790039 0.07 300.9532471 0.03 315.9210815 0.14 316.8446655 0.02 338.4202881 0.03 342.1741943 0.06 360.9040527 0.01 370.8238525 2.32 374.1835938 0.01 378.7587891 0.06 380.2523804 0.19 382.8078003 0.06 383.6192017 0.05 384.8297729 0.26 386.8087158 1.20 393.5874634 0.03 400.1047363 0.35 402.3401489 0.04 409.4503174 0.03 412.9042358 0.01 418.1198120 9.47 419.1130981 0.88 436.0458984 0.06 438.1436768 0.05 459.1010742 0.01 466.6105957 0.09 468.1096802 0.33 468.7434082 0.47 470.6636353 100.00 471.2680054 0.52 481.3943481 0.02 486.9071655 0.12 490.6566772 0.01 506.7206421 0.02 507.6088257 0.17 508.8237915 0.04 509.7012939 0.21 510.7178955 0.05 512.6936646 2.90 514.3600464 0.04 516.9509888 0.10 518.0002441 0.09 530.8507080 0.09 535.9793091 9.29 537.1102905 1.33 545.4551392 0.10 554.2573242 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 285.0615 Annotation Uralenneoside Peak:m/z Relative Intensity 81.0612259 0.07 93.0298157 0.28 96.9372330 0.09 106.8776855 0.25 107.8778152 4.30 109.0184097 5.66 120.9315338 0.45 123.0183334 0.63 133.0340271 0.43 135.0758362 0.29 145.1636963 0.04 148.8593140 0.21 151.0293274 3.58 152.0328064 27.27 152.9508514 100.00 162.0057983 0.05 163.0356750 3.51 165.0781860 4.77 167.1462250 0.10 174.9006348 0.21 177.0536499 0.05 179.1098022 1.08 180.9872742 1.42 187.0478973 0.11 191.1732025 0.08 193.2106018 0.09 195.0864563 1.01 199.0112000 0.07 203.1399536 0.13 205.0614319 0.57 207.0479126 1.89 219.2709351 0.24 221.1041870 0.15 223.0096741 0.07 225.1331787 2.51 237.1213684 0.11 239.0926208 0.17 240.9564209 0.95 242.1264343 0.13 249.0855408 0.38 267.1796875 1.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1279.5574 Annotation Moluccensin F Peak:m/z Relative Intensity 407.3969421 0.95 421.2200317 0.21 423.4291382 2.35 435.4535522 2.13 437.4253540 1.53 442.6281738 0.54 451.5317993 0.38 452.9100647 0.25 481.3225708 10.32 482.2875671 0.41 499.3870850 67.55 500.3682251 15.86 517.3215332 1.84 807.6044922 1.45 825.4261475 12.88 826.4667358 6.60 971.4357910 100.00 972.4173584 41.14 973.4776611 0.87 1032.0607910 0.58 1104.7387700 0.68 1111.7020260 1.37 1147.3812260 0.66 1148.4571530 0.93 1149.5834960 2.04 1176.7160640 0.37 1217.6901860 1.69 1218.5556640 0.43 1235.6749270 0.56 1261.5742190 1.25 1262.2099610 0.31 1262.8359380 0.82 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 824.4847 Annotation Unknow Peak:m/z Relative Intensity 239.2647095 0.08 242.6317139 0.22 243.2456665 0.31 261.1860046 0.63 265.1538696 0.11 267.0205383 0.05 283.1561890 0.39 287.1138916 0.90 288.2632446 0.11 301.2737732 0.12 303.1661377 0.21 305.1904297 1.39 309.2290039 0.44 311.2572021 0.05 327.2522583 0.66 328.8583984 0.13 331.1449890 0.99 349.4033813 0.91 351.2257080 0.08 353.1649780 0.41 355.4458008 0.06 371.2091064 0.12 372.8939819 0.13 375.2068176 0.09 377.4706421 0.15 391.1882324 0.08 393.1712036 1.04 395.1167603 0.05 397.1946411 0.26 413.4829712 0.06 415.2973633 0.23 419.5155640 0.34 421.3248291 0.36 437.1525879 0.79 439.1163330 0.16 441.0218506 0.04 455.1993408 0.18 459.5146484 0.11 461.2214966 0.06 463.4238892 0.59 479.0875244 0.11 481.1759644 1.70 485.6452637 0.04 489.2852783 0.17 499.3931274 0.38 507.5209351 0.41 525.2232666 2.51 527.2722168 0.27 543.3287354 0.42 547.4654541 0.06 551.4050903 0.09 567.2834473 0.11 569.3198853 1.48 570.7163086 0.25 572.3607178 0.04 576.8641968 0.44 587.4996948 0.70 591.7434082 0.08 592.8699951 0.10 595.1974487 0.19 611.0569458 0.09 613.2515259 1.93 615.1734619 0.40 631.3791504 0.74 639.2260132 0.19 647.3504639 0.02 648.6208496 0.15 649.7835083 0.21 657.0660400 1.20 657.7116699 0.41 662.1513062 0.31 664.2761230 0.17 671.3117065 0.08 675.1669312 1.25 675.9506226 0.09 694.0098267 0.24 695.6724243 0.10 701.3124390 1.87 703.4091187 0.04 719.4542236 2.08 728.3527222 0.29 745.1292114 0.83 763.3923950 2.63 789.4318237 0.94 792.5349731 0.43 805.7482910 0.03 807.3309937 100.00 808.0274048 0.45 823.6125488 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 467.1596 Annotation Unknow Peak:m/z Relative Intensity 150.9087067 0.17 166.7855225 0.38 180.8390503 0.70 182.0110779 0.74 188.9713287 1.08 212.9911499 0.74 222.9439087 0.41 225.0683441 0.26 232.1007080 0.32 241.1029663 54.48 242.0397491 3.32 242.9925079 2.37 257.0844727 12.52 259.0572205 5.91 260.1794739 3.37 261.1335449 1.77 262.0591125 0.67 285.0433044 1.36 342.4040527 0.39 346.8283691 0.57 367.2490234 0.33 379.1478577 0.23 381.0510254 0.50 382.3922119 0.35 385.3217163 1.28 393.2358398 100.00 394.2468567 11.55 395.1187744 13.41 396.1722412 1.94 397.2689514 0.17 406.3719788 1.00 409.2100830 7.73 410.2933044 5.38 411.6379700 1.01 419.3481750 1.18 422.4013977 0.23 423.8146057 0.14 435.2219849 4.92 436.3912964 0.64 437.4032288 0.37 438.3092346 0.67 448.2031250 2.48 449.2987976 3.80 450.2277527 0.77 452.0217590 0.19 467.2892761 1.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 476.278 Annotation PE(18:2(9Z,12Z)/0:0) Peak:m/z Relative Intensity 140.0876770 0.05 153.1555481 0.06 175.7393036 0.02 196.0267334 2.17 207.2656555 0.02 214.1918793 0.91 221.1440430 0.02 223.0080261 0.03 242.2763367 0.05 256.8923950 0.05 259.4920044 0.09 260.2807007 0.12 261.3548584 0.22 279.2582703 100.00 299.2936401 0.05 325.0607910 0.04 343.6145325 0.06 346.3622437 0.07 360.3411255 0.02 372.3957520 0.05 392.2595520 0.03 404.4169006 0.09 408.4878235 0.04 415.2445679 0.94 430.2776489 0.09 431.9584961 0.05 439.3002625 0.05 440.1575012 0.25 446.5049438 0.08 448.6683960 0.14 457.8149719 0.08 458.8506775 0.07 477.4866028 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 501.068 Annotation Bazzanin K Peak:m/z Relative Intensity 156.9393463 0.03 158.8814545 0.02 242.9314575 0.03 245.2405701 0.03 253.1632385 0.08 294.2796326 0.13 299.2883606 0.03 324.2455139 0.10 327.1727600 0.31 328.1911011 6.14 329.2848816 0.16 341.1564331 0.53 343.0697021 100.00 343.6729126 0.28 354.9160156 0.31 355.5943298 0.03 364.9768066 0.06 367.2066040 0.29 369.1513977 0.11 370.6000977 0.04 379.9581909 0.03 383.2965393 0.07 385.1463318 1.98 393.4001465 0.02 395.1156311 0.34 397.2125549 0.42 399.3385010 0.02 406.2467957 0.02 409.1712646 0.56 411.0814209 0.17 413.0855408 0.28 421.1098022 0.57 421.7185364 0.05 424.1951599 0.42 425.0995789 0.22 427.0253601 0.03 429.0556335 0.06 437.3444519 0.04 439.1746826 9.77 442.0623779 0.19 443.0439148 0.10 445.1805725 0.12 456.1520691 0.64 457.2699890 2.94 458.2586670 0.13 459.1166077 0.02 463.4861755 0.02 464.4389038 0.05 465.3603821 0.05 469.1272278 0.02 472.8856812 0.02 478.2410583 0.05 482.7608032 0.09 483.4209900 0.04 485.3677063 0.05 486.1458130 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 763.2798 Annotation Unknow Peak:m/z Relative Intensity 260.2259827 0.09 283.6218262 0.02 291.3031311 0.02 308.8917847 0.05 313.4759521 0.01 337.0148926 0.06 344.1711426 0.01 355.1398315 0.05 357.2082520 0.05 369.1842651 0.29 370.3715210 0.05 403.0106201 0.01 425.5925903 0.05 431.3283081 0.02 443.0817261 0.03 445.2391968 0.01 448.2064819 0.05 450.1256714 0.03 453.6053467 0.02 457.0812378 0.03 459.9723511 0.04 488.4404907 0.07 492.4102173 0.03 494.1865234 0.14 498.1881104 0.02 504.6318970 0.02 506.0790405 0.10 512.3081055 0.35 513.0927734 0.04 520.3254395 0.15 521.5631104 0.11 522.5259399 0.19 523.1988525 0.25 524.1145020 0.22 524.9703979 0.07 527.4351807 0.02 534.6081543 0.08 536.3317261 0.03 547.0955200 0.01 548.1907959 0.01 549.3410034 0.02 550.3166504 0.20 558.1549683 0.03 562.3600464 0.41 563.2528076 0.07 564.3228149 1.20 565.3782349 0.59 569.0250244 0.02 574.4808960 0.02 576.3124390 0.86 577.4244385 0.89 578.3043823 2.17 579.2620239 0.70 580.4011230 0.21 581.0563965 0.02 582.4346924 0.09 583.3630981 0.05 587.4247437 0.10 588.6190186 0.03 590.1917114 0.09 592.4088745 0.44 593.5232544 0.21 594.4814453 0.09 595.2271118 0.12 596.5889893 0.04 597.4771118 0.04 599.6376953 0.09 600.5299683 0.06 601.6411743 0.04 602.3773193 0.04 606.3276978 14.51 607.5761108 9.76 608.3229370 100.00 609.3056641 26.93 609.9520874 0.17 610.6150513 0.02 611.5629272 0.05 614.1276855 0.03 615.4876099 0.03 619.8828735 0.06 624.3219604 4.42 625.2821045 0.89 626.6754761 0.09 627.3768921 0.44 628.4254761 0.26 634.1139526 0.02 641.1997681 0.31 642.0952759 0.16 643.7510376 0.01 645.4175415 0.07 647.1723022 0.04 647.9177856 0.02 659.2719727 1.50 660.4052124 0.33 669.5242310 0.05 671.1098022 0.06 675.3251343 0.01 677.2731323 1.54 678.2503052 0.42 683.4677124 0.10 684.4612427 0.01 687.3156738 0.73 688.3414917 0.24 695.2595825 0.21 696.6655884 0.02 699.3156128 0.54 700.3532104 0.13 701.3926392 0.31 702.8555298 0.51 703.4833984 0.73 704.4407349 0.20 705.5014648 0.02 713.1625366 0.79 714.3845215 0.40 719.2816772 0.93 719.9325562 0.01 720.5446777 0.19 727.2851562 5.96 728.3746338 2.24 731.2359009 31.02 732.2962036 7.73 733.2713623 0.02 735.2420654 0.05 736.2096558 0.24 745.2782593 11.13 746.2350464 4.59 747.3681030 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 375.1548 Annotation Unknow Peak:m/z Relative Intensity 119.9472122 0.04 121.0090942 0.03 122.0615234 0.03 126.9886627 0.04 135.9380798 0.05 137.9571686 0.16 140.1274567 0.04 166.1069336 2.16 173.3226318 0.05 178.0131226 0.31 181.0662842 0.08 181.8495941 0.02 185.2607727 0.04 187.9525604 0.02 192.0723267 0.09 204.1135254 0.75 210.1165771 1.25 211.2478333 0.02 222.0653687 0.02 241.3736877 0.05 250.0772400 0.03 263.3052979 0.02 269.3017883 0.02 273.1384277 0.99 275.2653809 0.41 299.1804504 0.14 301.1672974 0.51 305.3394165 0.03 307.2841797 0.08 311.2310181 0.06 313.2151489 0.27 315.2415161 0.01 320.2560425 0.17 325.3323975 0.25 329.1561890 0.16 339.3475952 0.16 343.1613770 100.00 347.1679993 0.57 354.0574951 0.01 357.1077576 10.27 357.7516174 0.03 359.9330139 0.03 366.1005554 0.02 374.4006348 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1073.5183 Annotation Neosibiricoside C Peak:m/z Relative Intensity 389.3705444 0.07 391.2989502 0.03 413.3117065 0.07 423.6247559 0.06 425.2529907 0.40 426.4230347 0.04 438.5346985 0.08 452.1964722 0.12 453.5582275 0.80 454.6243896 0.17 468.7227173 0.27 469.5285034 0.74 470.3595886 0.31 471.4793701 15.11 472.5671387 6.69 483.5446777 0.06 495.5288086 0.03 496.5347900 0.17 497.2793884 0.02 505.2936401 0.06 509.5588989 0.04 511.2334595 0.21 513.4538574 0.19 514.5834961 0.22 522.2253418 0.18 523.3659668 0.41 524.3593750 0.06 527.4818115 0.02 533.5972900 0.02 535.6948242 0.12 536.7548828 0.05 539.5043945 4.58 540.5686035 1.93 541.3959961 0.06 545.7059326 0.03 547.2178345 0.07 549.5413208 0.57 550.5875244 0.38 553.5092773 1.69 554.5074463 1.06 559.4838867 0.06 565.5734253 0.23 567.4805908 5.80 568.4587402 3.06 569.5999146 0.34 570.6191406 0.28 579.7652588 0.10 581.5665894 0.03 585.5893555 1.38 586.6165771 0.95 591.6799316 0.07 593.3521729 1.18 594.4505615 0.54 603.4780273 0.13 604.7058105 0.25 609.4810791 0.02 610.7017822 0.27 611.5222168 2.57 612.5218506 0.57 623.5720215 0.03 629.4339600 0.72 630.6392822 0.19 631.4588013 0.04 635.7847900 0.16 636.9190674 0.04 645.4940796 0.04 672.3569946 0.22 699.5573730 1.20 700.6929321 1.10 717.5761108 3.17 718.5636597 1.60 729.6248779 0.26 734.9537354 0.81 735.6043091 0.77 736.7263184 0.58 743.5638428 0.24 744.6740112 0.03 756.3422852 0.03 759.8977051 0.15 761.4743042 3.11 762.5646362 1.76 772.7212524 0.05 773.4027710 0.51 774.3062744 0.08 774.9228516 0.05 777.5440063 0.05 779.5067749 2.48 780.4621582 1.74 791.5296631 0.11 792.5708618 0.09 813.6387939 0.08 821.4390869 0.07 839.9471436 0.05 867.1584473 0.56 867.8795166 0.14 868.5101318 0.18 893.4096680 0.19 894.5366211 0.10 905.7059326 0.20 911.5477295 100.00 912.5319824 49.79 913.1794434 0.40 923.7960205 0.04 924.5413818 0.17 941.5223389 7.93 942.5441895 4.58 953.4405518 0.06 954.4359131 0.49 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 374.36 Annotation Unknow Peak:m/z Relative Intensity 124.7334366 0.08 127.2531509 0.21 130.1839142 0.05 131.0634460 0.04 135.1988831 0.20 138.9432068 0.15 146.0471802 0.17 149.2022552 0.05 150.0587006 0.20 155.1337280 0.14 159.9793091 0.14 163.2480011 0.05 169.0334473 0.15 171.0890045 0.27 177.1499634 0.14 179.0320129 0.14 183.0144196 0.17 188.8059082 0.50 192.1351624 0.12 192.8487701 0.12 194.9854889 0.09 196.9068146 0.20 197.6719208 0.06 199.0830841 0.10 201.3229523 0.25 202.1778259 0.03 211.3518982 0.26 212.8814392 0.05 215.0756378 0.40 217.0286255 0.10 221.2688904 0.12 223.1529846 0.09 225.1794739 0.07 231.4556885 0.17 233.1834106 0.11 235.2458191 0.19 242.2901001 0.17 244.3347473 0.04 247.2082214 0.04 255.2329407 0.04 260.0855408 0.23 262.0714111 0.20 265.1238403 0.07 266.2748108 0.16 267.2257996 0.24 268.3649292 0.26 269.4069214 0.12 272.9620056 0.04 275.0322266 0.13 279.2351990 0.18 280.2163086 0.23 283.0614624 0.08 286.2421875 0.34 287.2951050 0.21 289.0407104 0.26 291.1328735 0.23 294.0568848 0.34 295.5325928 0.32 297.1113892 0.16 303.1430359 0.08 306.3877869 0.28 310.9588013 0.22 312.3777161 100.00 313.2947693 2.18 320.1465454 0.55 325.0212097 0.46 326.4628906 0.11 328.2019043 0.18 330.2721252 0.16 331.9704895 0.18 338.6031494 0.20 339.3668213 0.05 341.3896484 0.11 343.0308838 0.13 347.2222595 0.16 356.3575134 14.53 357.3143005 1.69 372.7860413 0.16 374.0761414 0.10 375.3964539 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1393.5912 Annotation Unknow Peak:m/z Relative Intensity 483.8304443 0.16 484.4528809 0.07 501.4156494 1.25 502.4606628 0.73 543.6909180 0.20 735.6563110 0.51 761.6026611 1.31 762.6241455 0.95 809.8077393 0.08 881.3905640 0.12 905.3889160 0.25 906.7526855 0.20 935.4921875 0.17 936.6137695 0.72 953.4433594 0.40 982.5848389 0.77 1025.6727290 0.69 1043.5913090 1.75 1044.7738040 0.78 1085.4890140 100.00 1086.5080570 33.76 1115.3999020 0.24 1160.3936770 0.62 1171.7952880 0.12 1229.3587650 0.11 1261.6291500 0.36 1263.3018800 2.70 1264.1364750 0.32 1273.5418700 0.13 1289.7117920 0.14 1315.6549070 0.18 1331.6578370 0.21 1334.6804200 0.18 1350.1380620 1.72 1358.0903320 0.23 1361.3981930 0.10 1375.4960940 0.12 1376.4447020 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1155.8376 Annotation Unknow Peak:m/z Relative Intensity 326.9590149 0.21 337.2030640 0.30 351.4710999 0.11 354.3441162 0.15 356.0271606 0.31 364.2929688 0.23 365.0806885 0.81 366.2147217 0.59 367.7138672 0.08 373.1062012 0.38 381.1343384 0.23 382.4002686 0.32 394.4994202 0.13 413.1795044 0.23 420.1735535 0.08 422.1168518 0.54 424.0680847 0.11 434.0607300 0.15 436.3750610 1.49 437.3128357 0.32 458.2201843 0.39 464.3664856 6.67 465.4458923 0.32 475.3465271 0.16 477.9882812 0.18 486.2166748 0.41 490.4739990 0.18 501.5284424 0.38 512.1169434 0.13 513.8266602 0.19 516.2808838 0.16 521.5548096 0.43 522.2977905 1.12 534.3414307 1.00 535.2419434 0.78 557.4370728 0.21 561.6053467 0.52 563.5883789 0.47 570.4979248 0.17 578.5881958 0.17 588.0910645 0.20 595.5015259 0.59 596.5067139 0.95 604.6379395 0.24 611.1166992 0.16 624.3428955 0.76 625.7618408 0.24 632.1950684 0.09 649.4554443 1.59 651.5787354 0.47 657.3267212 0.14 658.4480591 0.13 659.5046997 1.39 660.7893677 0.16 677.5516357 8.20 678.4377441 0.70 681.2626953 0.40 686.5993652 0.27 691.4975586 0.31 730.3628540 0.88 739.6857910 0.62 744.6036987 0.17 746.3929443 0.51 747.0008545 0.40 748.3873901 0.40 752.5147705 0.15 761.0070801 1.37 762.6272583 0.21 765.6732178 0.29 771.8587646 0.30 774.3442383 0.61 779.5988770 0.27 780.4272461 0.36 782.0023804 0.19 787.6450195 0.58 809.8178101 0.45 814.1690674 1.96 817.5914307 0.39 824.5249023 0.38 834.5338135 0.20 837.2169189 0.91 845.4207764 1.01 846.4140625 2.05 847.4892578 0.12 848.2481689 1.27 848.9339600 1.81 850.5045166 0.41 853.7963867 1.23 859.5852051 1.06 860.2784424 1.69 864.5375977 0.82 866.2829590 0.16 874.0877686 0.11 875.3927002 0.52 879.2008057 0.12 880.4425049 0.18 881.4885254 0.42 886.2568359 0.75 887.7039795 0.37 894.5844727 1.24 900.8947754 0.25 902.5213623 0.24 905.9570312 0.35 906.7110596 0.65 909.3963623 0.54 910.1127930 1.31 913.4957275 0.51 922.2530518 0.15 924.0708008 0.08 927.4173584 1.64 934.5609131 0.30 935.3586426 1.22 937.1865234 1.22 937.8782959 0.16 939.6083984 0.71 940.6370850 1.82 944.2392578 0.33 948.2510986 0.56 949.3825684 1.71 950.2941895 1.72 955.7741699 1.41 961.0540771 0.27 965.6051025 1.15 967.5919189 0.55 968.3074951 0.30 969.8948975 0.52 972.1689453 0.38 975.6314697 0.12 978.7042236 0.69 979.3277588 0.80 980.5325928 0.48 985.3010254 1.19 989.7674561 0.15 992.6214600 0.77 996.1794434 1.20 1000.5909420 0.42 1001.2814940 1.83 1002.1688230 0.38 1003.3388670 0.20 1006.0394290 0.30 1007.5014650 0.66 1008.6480710 1.18 1009.3569340 1.49 1010.6323240 0.77 1011.7945560 0.65 1012.7177730 3.41 1013.3679200 0.99 1014.1706540 1.12 1014.7993160 0.36 1015.7110600 0.22 1016.9525150 1.80 1018.9680180 2.90 1020.5122070 2.35 1021.2814940 0.56 1021.9355470 1.35 1022.7218020 0.20 1025.8259280 3.48 1027.2419430 3.72 1028.9040530 1.10 1030.4516600 3.94 1031.4938960 2.54 1032.4431150 0.34 1034.5701900 3.34 1035.9118650 3.68 1036.7834470 1.80 1037.5473630 1.23 1038.5126950 3.24 1039.6397710 2.47 1040.3779300 0.58 1041.9501950 2.87 1042.6850590 0.20 1043.4975590 0.89 1044.5219730 1.60 1045.6423340 2.39 1046.8808590 1.16 1048.3775630 0.59 1049.2248540 1.04 1049.9884030 2.66 1050.6364750 2.97 1052.1008300 1.35 1052.7105710 2.67 1054.1353760 1.61 1055.4354250 7.70 1056.4865720 3.84 1057.5222170 1.40 1058.5351560 1.17 1059.1926270 0.07 1061.4633790 4.66 1062.1693120 2.89 1062.9277340 0.31 1063.8460690 2.34 1064.6212160 3.39 1065.5732420 3.43 1067.1066890 4.93 1068.3708500 7.22 1069.5622560 1.83 1070.4294430 5.62 1071.3864750 4.61 1072.5845950 3.96 1073.7402340 10.16 1074.9836430 4.69 1076.2360840 4.39 1077.8942870 5.06 1078.7749020 4.95 1079.9063720 3.08 1080.7054440 0.50 1081.9536130 6.96 1082.7097170 7.50 1084.4597170 15.16 1085.3452150 3.38 1085.9819340 5.28 1087.5872800 6.32 1088.3402100 10.39 1089.3983150 2.41 1090.5572510 2.21 1091.5302730 2.14 1092.4361570 1.30 1093.1614990 16.50 1093.8984380 31.91 1094.9575200 9.74 1095.6905520 1.73 1096.8643800 4.74 1097.6696780 3.78 1098.7071530 0.99 1099.8186040 12.36 1100.8193360 5.38 1101.9141850 16.05 1103.0212400 9.33 1103.6741940 4.33 1104.4094240 1.72 1105.6232910 8.48 1106.6356200 2.50 1107.6346440 5.20 1108.3660890 13.27 1109.4287110 4.92 1110.5870360 2.47 1111.6011960 23.65 1112.7564700 2.91 1113.8825680 9.35 1114.9023440 5.00 1115.9738770 3.36 1116.8085940 10.93 1117.5306400 41.48 1118.5332030 19.54 1119.3469240 1.83 1120.6464840 25.10 1121.6838380 6.92 1122.7458500 9.05 1123.3668210 91.85 1124.3662110 5.34 1126.6035160 100.00 1127.8310550 1.37 1128.5488280 1.39 1130.1257320 6.86 1131.1654050 2.39 1132.4967040 11.73 1133.7578120 3.29 1134.9840090 4.95 1135.6112060 11.13 1136.3002930 2.97 1137.5019530 2.81 1138.6788330 15.72 1139.4005130 3.70 1140.8178710 27.77 1141.5444340 59.40 1142.6154790 1.02 1144.4522710 17.26 1145.3225100 1.27 1146.6588130 4.55 1147.6142580 0.82 1148.3458250 0.48 1159.6699220 0.31 1164.4271240 1.53 1166.7558590 0.70 1167.9891360 0.42 1177.5766600 0.36 1180.4273680 0.93 1182.8283690 0.13 1184.8671880 0.87 1185.8093260 0.48 1191.6369630 1.39 1195.3377690 0.52 1196.1960450 0.49 1200.7106930 1.20 1210.6785890 1.10 1216.7133790 1.82 1217.7727050 1.29 1219.9869380 1.57 1222.6706540 0.47 1225.6579590 1.23 1230.7451170 0.36 1232.5352780 1.01 1236.3897710 0.53 1237.8188480 0.59 1241.3331300 0.30 1242.2775880 0.85 1244.5747070 0.89 1245.7314450 1.69 1247.6467290 0.23 1248.5725100 0.56 1249.6835940 1.35 1251.5701900 0.56 1252.7326660 1.96 1255.0551760 0.34 1256.1680910 0.66 1258.4250490 0.57 1259.3205570 2.02 1263.7248540 0.68 1264.7165530 0.20 1266.4177250 1.45 1267.2202150 3.08 1269.8920900 0.13 1271.2250980 0.95 1272.8437500 0.81 1274.5319820 0.22 1275.1666260 0.10 1276.7211910 0.20 1278.1923830 0.39 1280.4895020 1.47 1282.4683840 0.45 1283.2164310 0.35 1284.9179690 0.46 1285.7540280 0.20 1287.8557130 0.81 1289.2028810 0.42 1289.9344480 0.37 1290.7280270 1.11 1291.4720460 0.82 1294.3367920 1.72 1296.5413820 0.30 1297.2855220 1.76 1298.6164550 1.37 1302.4812010 1.10 1306.1101070 0.77 1308.4143070 0.27 1312.3120120 0.44 1313.4483640 0.17 1315.6785890 2.10 1316.6846920 1.00 1317.4440920 2.17 1319.6369630 0.49 1322.8149410 0.60 1326.8857420 0.92 1328.8558350 2.07 1330.1295170 0.27 1331.1510010 1.02 1332.5720210 0.61 1333.6810300 2.24 1337.3197020 0.51 1339.3287350 0.76 1340.9521480 1.10 1342.4486080 0.76 1343.1104740 0.68 1343.7786870 0.82 1345.7312010 0.52 1346.6350100 2.19 1348.0428470 1.10 1349.3775630 1.27 1350.5379640 0.74 1351.2221680 0.17 1352.5855710 1.26 1353.5966800 0.60 1358.3748780 0.27 1359.5621340 0.96 1360.7353520 0.93 1361.5078120 0.36 1363.8808590 1.51 1364.5340580 0.34 1366.1965330 1.49 1368.0040280 0.26 1368.8223880 0.15 1370.2802730 0.55 1371.5379640 1.55 1373.1954350 0.24 1374.3204350 1.94 1376.7448730 1.32 1377.5490720 0.65 1378.5457760 0.62 1379.3590090 1.53 1380.1397710 0.69 1381.7197270 2.72 1382.4747310 1.74 1384.4603270 0.43 1385.3619380 0.07 1386.9598390 6.30 1388.4158940 0.63 1389.4842530 0.51 1390.5968020 0.65 1391.8026120 0.22 1392.7758790 0.45 1395.0332030 6.73 1395.8345950 18.95 1396.6013180 0.30 1399.9058840 1.16 1402.3038330 0.18 1405.3356930 0.43 1406.4436040 0.67 1408.1972660 1.74 1408.9278560 0.83 1410.8546140 0.19 1412.2784420 0.11 1413.3748780 0.42 1414.9888920 0.74 1420.2845460 0.43 1421.7191160 0.22 1422.8183590 1.09 1424.0211180 2.59 1425.2749020 1.00 1426.0184330 0.21 1428.3514400 0.50 1430.4649660 0.52 1434.0023190 0.28 1435.1798100 0.99 1435.7977290 0.37 1437.6004640 0.95 1438.5806880 0.18 1439.3768310 0.42 1440.2546390 1.70 1441.1157230 0.64 1442.9036870 0.33 1444.6160890 0.91 1445.6816410 0.53 1448.0908200 0.62 1449.2186280 1.68 1450.1431880 0.17 1451.5642090 0.90 1452.8930660 4.77 1453.7926030 1.64 1455.4890140 0.93 1456.5992430 0.34 1457.3715820 1.28 1458.4915770 4.30 1460.5445560 2.20 1461.1802980 1.29 1463.1306150 1.39 1464.1214600 0.27 1464.8209230 0.53 1466.2210690 2.86 1466.9493410 0.32 1468.9929200 1.32 1471.3416750 1.24 1473.7530520 0.45 1475.0203860 0.89 1478.0137940 0.84 1479.4984130 0.56 1480.5030520 0.64 1481.7816160 0.72 1482.5590820 0.99 1484.1031490 1.36 1484.7397460 3.26 1485.8359380 0.33 1486.5328370 0.34 1487.3470460 1.27 1488.2740480 3.10 1488.9383540 1.17 1490.7691650 2.57 1492.1722410 3.05 1493.4342040 4.12 1494.1014400 2.29 1496.1840820 1.03 1496.8905030 1.06 1498.4085690 3.42 1499.3460690 0.80 1500.5362550 2.02 1501.9348140 29.86 1502.6158450 12.63 1503.3507080 4.66 1504.8387450 3.52 1505.8090820 1.23 1507.3457030 1.24 1508.3222660 0.35 1509.9183350 0.53 1511.8188480 0.94 1512.8732910 0.44 1514.4459230 0.42 1515.8060300 0.21 1516.4616700 1.62 1518.6634520 2.21 1519.4522710 0.68 1520.9694820 3.09 1521.7548830 0.78 1524.8516850 4.09 1526.3199460 1.82 1528.3062740 0.51 1529.0694580 1.07 1529.9831540 0.84 1531.8322750 1.71 1533.2028810 2.59 1534.2430420 0.45 1535.5325930 1.06 1542.7952880 2.05 1543.9116210 1.34 1545.5748290 1.40 1546.2791750 0.35 1548.0683590 3.47 1549.4589840 1.48 1550.3769530 4.64 1551.3333740 2.62 1552.3609620 1.97 1553.1029050 0.31 1553.8602290 2.16 1554.5448000 0.76 1555.6407470 1.81 1557.1601560 1.06 1557.7763670 1.77 1559.6199950 0.70 1560.2633060 1.09 1561.4124760 2.68 1562.5068360 1.39 1563.4439700 1.89 1565.1287840 2.27 1566.2683110 0.39 1566.9691160 1.28 1568.3302000 0.27 1569.3583980 0.26 1570.4648440 1.08 1571.1744380 0.73 1574.0581050 1.16 1575.4566650 1.45 1577.9565430 4.37 1578.6888430 0.85 1579.4897460 1.69 1580.8887940 1.35 1582.6579590 1.64 1583.6628420 1.19 1584.3140870 0.39 1585.0565190 1.38 1586.2630620 2.04 1587.1180420 0.85 1590.0091550 3.08 1590.6907960 0.48 1591.3076170 0.35 1593.1907960 0.71 1595.1964110 0.15 1597.0809330 0.53 1598.7637940 0.15 1599.7596440 2.20 1600.6134030 0.15 1601.2808840 1.12 1602.3421630 1.32 1603.3867190 0.49 1604.5704350 0.87 1605.3905030 0.77 1606.3033450 3.07 1607.9205320 2.16 1609.1677250 1.52 1610.8315430 4.46 1611.6934810 1.65 1613.2464600 1.71 1614.8955080 1.87 1615.7241210 0.21 1616.3560790 0.58 1617.2034910 0.42 1618.3862300 0.39 1619.7912600 3.07 1620.5490720 0.33 1622.1336670 3.42 1623.0257570 1.82 1624.4631350 1.25 1625.7381590 2.61 1627.0537110 0.59 1628.2043460 0.81 1630.8553470 1.22 1632.1097410 3.21 1633.1043700 0.60 1635.2153320 0.62 1636.0299070 1.28 1636.8204350 1.41 1639.1641850 2.69 1640.0078120 12.44 1640.8361820 2.34 1642.6356200 0.93 1643.6633300 2.03 1644.5343020 0.29 1645.7855220 0.45 1646.4625240 0.83 1649.1386720 0.80 1651.9932860 3.24 1652.6383060 0.58 1655.0688480 0.64 1656.0733640 0.53 1656.8940430 0.31 1657.8358150 0.28 1658.6214600 0.13 1659.9290770 0.81 1660.5469970 1.07 1661.3554690 0.81 1662.0358890 0.24 1666.2961430 1.48 1667.1754150 1.99 1669.2364500 1.42 1670.0443120 0.52 1670.9519040 0.08 1674.2628170 1.48 1675.5892330 1.94 1676.1945800 0.11 1677.1046140 3.59 1678.4727780 0.36 1679.6676030 0.11 1681.5496830 1.00 1682.3850100 0.51 1683.9167480 4.62 1684.8099370 2.70 1685.7180180 1.65 1689.1604000 0.60 1690.6190190 0.48 1695.7487790 0.13 1697.0788570 0.39 1697.8127440 0.24 1698.6262210 1.69 1699.6478270 0.53 1725.8861080 0.84 1727.6359860 0.28 1729.7681880 0.47 1753.0340580 0.24 1785.6760250 0.75 1789.0441890 0.40 1795.7796630 0.31 1801.7191160 0.33 1826.1397710 0.24 1837.7253420 0.24 1840.3104250 0.40 1853.9493410 0.62 1870.2243650 0.30 1877.9444580 0.07 1885.2454830 0.23 1892.9410400 0.56 1907.5992430 0.12 1929.9284670 0.17 1934.0354000 0.29 1941.1511230 0.62 1958.1351320 0.58 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 584.4402 Annotation Unknow Peak:m/z Relative Intensity 199.0770874 2.49 201.1093903 0.31 221.9833221 0.22 226.0706177 0.26 227.1300049 1.59 228.2630920 0.47 235.2196655 0.86 242.9761047 0.20 245.1957092 0.61 248.3455353 0.12 253.1800232 0.13 253.7959595 0.14 269.3399048 0.20 274.4144287 1.06 279.5542603 0.28 281.2807007 0.57 282.2301636 0.30 283.8509521 0.22 313.1643677 0.36 321.8156738 0.30 325.1251831 0.39 340.2484131 0.12 352.2058105 0.46 353.2858887 0.26 355.5438843 0.41 365.1364746 0.28 367.0314331 0.20 383.2964478 0.28 386.5283813 0.11 395.2415161 1.19 408.7568970 0.33 413.2523804 0.50 423.2402344 1.58 433.2155762 0.13 440.0822754 0.73 441.7957153 0.48 455.0499878 0.17 482.7402954 0.26 499.6484375 0.10 507.6749878 0.20 512.9273071 0.64 519.1583862 0.08 529.3163452 0.41 553.4918823 1.42 554.5452271 1.06 558.5532837 1.17 559.4501343 1.30 560.6523438 2.41 561.6270142 3.41 565.5226440 4.06 567.2448120 2.33 570.7586670 4.18 572.2255859 3.12 574.5355835 3.61 576.2051392 2.77 576.9704590 0.34 578.0695190 0.36 596.2678833 0.87 607.4390259 0.28 608.7341919 0.55 629.9226685 0.28 638.6266479 0.66 639.3821411 0.38 641.0376587 1.20 641.7058716 2.28 643.8546143 1.10 644.8623657 2.31 645.6509399 1.43 649.3521118 6.67 650.1294556 1.85 651.7811279 0.22 656.3574829 1.77 657.0491333 0.57 658.5885620 0.96 660.6666870 3.30 661.8115234 0.59 664.5160522 0.10 665.4074707 0.99 667.0130005 4.91 667.7927856 1.97 669.3082886 7.96 669.9087524 14.85 670.7229614 4.28 671.4537964 1.46 674.2338867 100.00 675.2053833 8.29 676.0621338 1.79 678.1077271 0.94 679.1204224 0.18 681.1399536 0.30 684.4547729 0.62 686.2666626 1.21 690.3289185 0.99 694.6845093 5.82 695.6768188 1.57 696.4588013 0.47 697.9979858 4.31 699.0355225 1.83 702.4622803 11.76 703.2594604 4.50 704.3329468 0.58 705.7402954 2.82 707.0874634 0.95 713.2240601 6.48 714.2025757 3.16 715.0020752 0.42 716.0455933 0.64 721.5560913 0.33 722.2753906 0.78 723.1840210 0.35 730.8957520 0.75 733.7775879 1.02 741.8466797 1.35 743.6819458 0.98 747.6908569 0.79 755.3781128 1.49 761.0357666 0.69 763.0156860 0.55 765.5013428 3.57 772.0160522 1.81 772.9476929 1.19 774.6746216 0.29 777.7813110 1.27 778.4837036 0.78 783.6295776 1.87 784.7791748 0.47 787.8374634 0.56 793.1196899 1.26 793.8071899 1.33 794.7272949 3.31 800.1588745 0.33 802.1439209 1.37 804.7940063 0.76 808.7086792 0.75 811.1198120 1.87 811.8465576 1.48 817.1243286 1.03 820.1082764 0.45 823.4699097 0.14 824.4917603 1.33 826.7457275 2.63 829.1130981 0.42 831.2454224 0.26 832.0610962 0.94 835.0923462 0.95 840.1975098 2.62 842.4829712 0.52 844.2500000 5.14 845.2033081 4.57 847.3588257 0.61 849.9297485 5.57 850.7833862 5.27 853.9506226 0.50 856.0459595 0.37 858.3979492 2.05 859.9592896 2.32 865.6804199 6.29 866.4406128 4.20 868.8485718 0.44 874.6087036 0.57 876.7006836 1.25 884.4470215 0.55 885.6111450 0.11 887.1997070 1.15 888.3179321 0.50 892.9428101 0.72 893.5869751 0.20 894.6644897 1.21 897.1520996 1.10 901.0832520 0.82 902.5023804 0.85 913.2984009 2.48 915.2554321 0.17 920.1908569 0.70 935.6687012 0.13 953.1764526 0.38 972.2456055 0.17 976.6459351 0.07 990.1969604 0.60 991.1432495 0.64 992.5939941 1.08 1000.2343140 0.14 1002.6790160 1.37 1029.6250000 0.32 1037.2841800 0.18 1047.2065430 0.21 1062.6358640 0.56 1063.6160890 1.45 1075.4882810 0.14 1077.7320560 0.44 1078.6894530 0.16 1081.5379640 0.34 1091.8568120 0.33 1095.2625730 0.09 1099.0554200 0.62 1103.6291500 0.66 1106.9262700 0.23 1113.5002440 0.28 1122.6271970 0.47 1127.5487060 0.73 1144.0927730 0.80 1146.9167480 0.27 1190.0921630 0.52 1193.4826660 0.43 1327.3294680 0.27 1403.4788820 0.24 1469.8421630 0.39 1518.3518070 0.11 1538.6470950 0.18 1566.6024170 1.40 1568.7340090 0.68 1697.7530520 0.26 1718.5955810 0.32 1828.6203610 0.33 1974.5123290 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 665.1356 Annotation Cyanidin 3-(6''-malonylsambubioside) Peak:m/z Relative Intensity 190.9653778 0.11 196.0823364 0.13 204.8518066 0.03 215.2246399 0.05 224.9157867 0.02 244.1636963 0.17 255.1432953 0.05 271.0778809 0.56 273.1519775 0.05 281.0788879 0.04 283.0937805 1.78 299.1096802 2.35 300.1786499 0.20 304.3560181 0.02 311.0987549 0.06 312.3654175 0.03 313.2659912 0.06 321.2113342 0.25 322.9401245 0.05 324.1893311 0.05 326.3086853 0.15 327.4960938 2.41 328.1924438 26.27 339.1361084 0.56 341.0004272 1.27 343.1992188 96.75 344.2915039 0.37 345.3425903 0.04 351.3031616 0.03 356.0319214 0.08 357.2191162 0.71 367.1770630 0.02 369.0568237 0.19 383.4832764 0.04 385.1676636 2.81 385.7768555 0.03 387.2172241 0.01 395.0906372 0.03 398.9776611 0.08 411.2102051 0.47 413.1290283 1.74 414.6012573 0.03 420.8657227 0.20 429.4979248 0.14 438.9608154 0.96 439.5674438 0.12 451.3853760 0.06 455.0573120 0.07 457.1504517 100.00 457.9445801 0.50 459.3826294 0.17 462.2112427 0.35 463.3975830 0.54 475.3870850 0.02 476.3574219 0.02 479.4667358 0.07 483.1492310 2.53 487.4545288 0.07 488.1600342 0.26 489.4684448 0.16 495.4127808 0.03 498.5606689 0.09 501.0869751 7.93 502.1801758 0.81 503.0764771 0.06 506.1480713 0.10 507.0512695 0.45 519.4352417 0.18 528.5115356 0.08 541.3319092 0.06 543.2938843 1.20 544.3524780 0.17 546.7022095 0.03 549.1582642 0.05 552.5620728 0.02 568.1597290 0.20 573.3960571 0.02 574.1340942 0.07 575.3067627 0.10 577.3538818 0.28 584.7869263 0.24 585.8859253 0.15 587.1933594 0.02 587.9468384 0.05 602.2428589 0.16 603.2655640 0.12 604.4725342 0.08 605.3959351 0.51 614.4287720 0.15 616.2982788 0.05 619.1326294 0.78 620.3729858 1.29 621.3505249 0.32 628.3897095 0.37 629.3211060 0.05 630.4951782 0.13 631.9011841 0.26 632.6746216 0.07 633.4351196 0.07 635.4467163 0.22 641.3468628 0.41 643.4127808 0.02 646.3580322 0.73 647.3736572 0.66 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1263.5654 Annotation Dysinosin A Peak:m/z Relative Intensity 439.3843384 0.27 440.4624023 0.04 467.5823975 0.14 483.6180725 0.07 501.3824463 0.57 502.4677124 0.16 526.6627197 0.11 543.4727783 0.93 544.6065674 0.31 586.6610107 0.16 611.4062500 0.28 615.6181641 0.11 677.4292603 1.86 678.3917847 0.68 701.5357666 0.14 705.1530762 0.11 750.4941406 0.13 751.3572998 0.08 779.6352539 0.08 790.3270874 0.13 808.1867676 0.12 810.0035400 0.18 907.8754883 0.19 925.2185059 0.12 937.1979980 0.07 955.6971436 0.65 956.7337646 0.41 1069.5227050 0.13 1084.6657710 0.03 1087.5256350 100.00 1088.5490720 48.05 1089.2637940 0.23 1101.6770020 0.05 1102.4031980 0.21 1103.5874020 0.77 1111.7042240 0.08 1128.0856930 0.05 1142.2485350 0.04 1157.7424320 0.05 1161.7561040 0.19 1184.6721190 0.10 1201.5119630 0.43 1202.4761960 0.11 1219.4013670 0.40 1245.3781740 0.34 1246.8154300 0.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 525.2189 Annotation Unknow Peak:m/z Relative Intensity 148.9902191 0.24 160.9177551 0.29 181.0973206 1.23 191.0703125 11.16 220.5282593 1.98 221.1752625 0.47 232.9524994 1.49 237.1354828 0.60 238.7541504 0.53 250.7611694 2.03 257.3629456 0.81 261.2714539 0.45 267.3337097 0.22 271.2819519 0.55 275.1117554 25.66 293.0092163 15.39 304.1589966 0.33 310.8934937 1.45 313.1665649 1.39 320.3794556 0.51 334.4793091 0.54 335.5964966 0.17 341.1771240 0.57 345.3170166 1.33 347.2025146 0.39 349.2605591 0.50 351.6834106 0.29 353.2675781 0.26 363.1022949 1.53 391.2777710 0.16 393.2312012 100.00 393.8476562 0.36 404.4018555 0.41 424.7772217 1.50 425.4315796 1.05 431.5134277 0.99 435.3432617 0.43 438.3934326 0.47 445.3391724 1.18 448.6583252 0.98 449.3760376 0.19 461.1751709 0.76 464.2459106 1.05 465.4771729 1.42 478.4906006 0.77 479.4298096 3.62 489.3830566 1.24 493.0776978 1.65 495.3660278 3.47 497.3031616 0.78 507.1555176 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 446.15 Annotation Unknow Peak:m/z Relative Intensity 132.1928711 0.42 134.9155884 5.16 139.0079346 0.31 147.1558685 0.28 152.0425110 100.00 155.0903778 0.09 166.0778656 0.09 167.0494232 0.19 176.0589600 0.09 179.9867096 0.11 182.1195679 0.07 183.2550964 0.40 187.3211365 0.14 201.2552948 0.49 211.0746460 0.08 213.2398682 0.29 218.2327728 0.38 219.2891541 0.18 231.0601959 0.92 237.0249634 0.31 238.0858765 0.31 241.6781006 0.33 243.1549988 0.14 244.9821167 0.33 247.2403259 0.18 257.0820312 0.31 261.3423767 0.86 265.2617188 0.20 269.5554810 0.39 271.0902405 0.15 273.2346497 0.50 275.2083435 0.41 276.4899292 0.09 277.1206360 0.14 279.4482117 0.16 280.4077454 0.09 282.1029968 0.06 283.2109070 0.31 284.2443237 0.65 287.2263184 0.41 289.1978455 0.29 296.2196960 0.09 299.8590698 0.25 301.2336121 0.08 305.6131592 0.18 309.3093872 0.07 311.0938110 0.81 313.2376099 1.83 313.9537354 0.40 315.1333313 0.13 326.2029419 0.11 328.9404297 0.22 330.2159424 0.54 331.2046509 1.22 338.9712219 0.33 340.4263306 0.29 343.1766968 0.25 356.1721191 0.12 357.4566650 0.51 359.5849609 0.28 367.4718018 0.51 369.2963867 0.15 370.9988708 0.17 371.9959717 0.32 387.3934021 0.12 391.3211060 0.09 392.4684753 0.26 394.8898010 0.27 399.4358826 0.43 400.3213501 0.33 401.9880066 0.44 403.5234985 0.13 404.7479553 0.12 405.4010010 0.18 409.5402832 1.06 410.6061096 0.81 413.5367126 0.06 414.4773560 0.24 415.4667053 1.09 416.4507141 0.27 417.4804993 0.55 427.3471680 5.46 428.3231506 4.80 429.3280640 0.23 430.1662598 0.16 437.8059998 0.77 445.4332581 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 551.1771 Annotation Lactucaside Peak:m/z Relative Intensity 159.7929840 0.03 161.0536041 0.08 162.1158142 0.02 164.1667328 0.02 175.1382446 0.16 176.0138550 0.13 177.9986572 0.32 181.0563965 2.27 191.0499420 0.85 192.1576538 0.18 193.1449585 3.52 195.1168976 0.51 207.1674652 0.27 212.3340759 0.05 216.9595337 0.11 227.2728577 0.01 235.1782684 2.93 237.4530029 0.05 254.0804443 0.03 257.3886719 0.02 265.3032227 0.07 270.2716064 0.01 276.8907471 0.13 279.4266968 0.02 281.8406982 0.13 285.1093140 0.02 297.4134521 0.39 305.4467773 0.02 327.2872314 0.18 341.2435913 6.34 342.2454224 0.05 343.1699219 0.10 355.3063354 0.13 357.4085083 0.09 359.1500854 0.06 369.3770142 0.12 371.2147217 0.43 375.1327515 0.07 383.3136597 0.83 387.0169067 0.02 389.1388550 100.00 389.7580566 0.23 393.1306763 0.03 403.2568359 0.46 413.2092896 0.53 418.2816772 0.10 431.2121582 7.27 446.9362183 0.07 460.9903564 0.51 461.6607666 0.09 471.4805298 0.03 475.4365234 0.08 479.0297241 0.05 485.3873901 0.02 491.1607056 1.04 503.1806030 0.23 504.9232788 0.08 505.8919067 0.05 507.3143921 0.11 514.4342651 0.05 515.2461548 0.08 518.5040894 0.12 519.2943726 0.37 532.1801147 0.03 533.3265991 0.41 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 550.3056 Annotation Unknow Peak:m/z Relative Intensity 162.9401245 0.03 174.9613037 0.10 177.0318909 1.43 191.0058594 0.05 195.0608521 0.17 196.7035675 0.05 201.4249878 0.03 203.0576630 0.03 205.1921234 0.02 207.0032349 0.06 212.9803772 0.05 214.7052002 0.04 219.0899658 0.13 221.0589294 0.70 226.0922699 0.19 251.2362366 0.22 254.5114594 0.33 255.2179871 0.11 256.3786621 0.08 257.2015076 0.03 265.1461792 0.69 267.4752808 0.13 269.3358765 0.04 270.1728516 0.10 273.1341553 0.05 283.2343750 1.07 284.3800049 0.17 286.7532349 0.07 289.9136353 0.03 294.6442261 0.07 295.3149719 0.07 297.3937378 0.17 298.4717407 0.04 299.4945679 0.02 308.6983643 0.19 309.2988281 0.22 310.3552246 0.61 311.3501587 0.35 313.0822144 0.69 314.0957642 0.17 317.2874146 0.03 318.3870850 0.06 327.3050537 0.85 328.8472900 0.04 330.0294189 0.05 334.5155029 0.16 335.2742920 0.10 339.1368408 0.13 349.1547852 0.13 353.0216064 0.39 353.6312256 0.13 356.5060425 0.08 357.4197998 0.03 363.6340942 0.06 371.2429810 100.00 371.8967285 0.59 373.4040527 0.09 374.3902588 0.08 375.4072876 0.18 379.1519165 0.05 385.7655640 0.03 386.3761597 0.03 387.3442383 0.02 388.2140503 0.25 389.0844116 0.10 392.1804199 0.04 394.9746704 0.03 399.2069092 0.06 399.9395752 0.05 403.2512817 0.08 405.4359131 0.06 407.5692749 0.10 408.6600342 0.07 412.4520264 0.09 416.3635864 0.07 417.8289185 0.07 419.3173218 0.16 422.2613525 0.10 423.5553589 0.16 428.4255981 0.09 433.1404419 0.04 436.8331299 0.09 448.2047729 0.11 450.6357422 0.06 460.1874390 0.11 461.3673096 0.29 466.0571899 0.03 466.9986572 0.15 469.2144165 0.12 470.0202637 0.04 474.2382812 0.03 476.4480591 0.08 479.5291138 0.09 481.9362183 0.37 485.3092651 0.17 488.1601562 0.07 488.9513550 0.09 491.4418335 0.06 494.8646851 0.07 499.5890503 0.06 504.9417114 0.67 505.6200562 0.12 506.4449463 0.09 507.5567017 0.22 509.3295288 0.30 510.0513306 0.15 513.6088257 0.02 515.2391357 0.29 517.7686157 0.17 518.8761597 0.16 521.4274902 0.13 529.1771851 0.24 531.6732178 1.96 532.7933960 2.55 533.4523926 0.17 536.1925659 0.04 538.9306030 0.07 541.7485962 0.14 543.0543823 0.06 549.7527466 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 667.1302 Annotation Unknow Peak:m/z Relative Intensity 197.1642151 0.04 215.0853424 0.08 229.2305145 0.03 259.1436768 0.34 271.0781250 0.10 287.0987244 0.39 309.1583557 0.09 315.1156616 2.68 321.1340637 1.90 330.2309570 12.85 331.2016907 0.02 335.1723633 0.24 337.3709717 0.03 341.1182251 0.16 343.0187378 0.67 345.1858521 100.00 349.2838135 0.10 357.1188354 0.11 358.2270508 0.06 358.9304810 0.11 371.4668579 0.02 372.2551270 0.07 382.3256836 0.15 385.1785278 0.23 387.3735352 0.59 397.2013550 0.80 399.3989258 0.14 401.3118896 0.04 403.3176270 0.05 409.5437622 0.28 411.3410034 0.10 426.6606445 0.17 427.3534546 0.74 428.1846313 0.08 429.1547852 0.15 439.3098145 0.18 441.3031006 1.50 444.4653320 0.02 459.2660522 13.09 461.0188599 0.19 477.0155640 0.06 485.2414551 0.21 490.8922729 0.16 491.6367188 0.06 501.0885620 0.14 503.1344604 76.34 503.7636108 0.39 505.4359741 0.03 509.2718506 0.07 511.4288330 0.09 521.1430664 52.85 523.4724121 0.06 533.0153809 0.02 534.5077515 0.02 542.3580322 0.12 550.4589233 0.40 556.4282227 0.16 563.4802856 0.08 565.6797485 0.67 571.4494629 8.24 582.1029053 0.04 586.2744141 0.03 593.7898560 0.20 594.5065918 0.50 595.4667358 0.46 613.1393433 0.04 614.3937378 0.20 615.2734985 0.56 615.8817139 0.32 620.2252808 0.08 623.5130615 2.79 624.3883667 0.38 629.6943970 0.12 633.3617554 0.12 634.4347534 0.75 636.4765015 1.02 637.4540405 0.04 643.3490601 2.88 645.1451416 6.12 645.9778442 4.13 646.7120972 0.01 648.4766235 0.05 677.6618042 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 711.1575 Annotation Unknow Peak:m/z Relative Intensity 206.9692688 0.02 215.4908600 0.03 216.1401367 0.04 217.2564850 0.02 218.0682831 0.03 219.1305389 0.01 230.1373291 0.06 231.1609650 0.07 233.0728912 0.13 234.1944427 0.05 244.0131378 0.15 245.8201599 0.01 247.3239441 0.02 249.0788269 0.02 259.0904236 1.63 260.1133118 0.20 261.2321777 0.02 270.2947998 0.01 272.7625122 0.04 276.3883667 0.02 286.2069702 0.10 289.1664429 0.07 291.3409424 0.07 301.0438232 0.01 314.1204224 0.01 329.0794678 0.42 330.1796265 0.08 332.9801636 0.07 337.1086121 0.09 338.3051758 0.06 339.0402832 0.02 341.3428955 0.02 342.2587891 0.02 344.1068115 1.20 345.2041626 0.29 351.1756592 9.29 352.1743774 0.92 355.0717163 0.03 357.1932983 0.10 359.1422729 4.44 360.2238159 1.01 367.8945923 0.02 369.2224731 0.22 370.1867676 0.04 371.1858521 0.06 372.1448364 0.09 373.2739868 0.03 374.3009033 0.01 385.0299072 0.02 386.3264160 0.10 395.2238159 0.03 399.2496338 0.01 401.1000366 0.60 401.7354736 0.03 402.4180908 0.01 413.3522949 0.01 422.8842773 0.03 426.2492676 0.02 427.3075562 0.08 443.1144409 0.04 444.3756714 0.01 455.2056885 0.36 456.4048462 0.06 472.9967041 0.04 487.2702637 0.10 502.3804321 0.04 503.2706909 0.01 517.1986694 100.00 518.1661987 19.51 667.4707031 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 691.2617 Annotation Maytanbutacine Peak:m/z Relative Intensity 201.2526245 0.02 213.1987000 0.02 217.2373657 0.02 227.8793488 0.07 240.1383820 0.05 244.0929871 0.02 254.8379211 0.02 256.0903320 0.02 259.3796387 0.20 269.2845459 0.03 270.8784485 0.01 271.7897949 0.02 273.2080688 0.35 275.0928955 0.04 285.2538452 0.02 293.3428955 0.03 299.1577148 0.02 307.1493530 0.05 313.2326660 0.64 317.2670288 0.51 327.4005127 0.02 335.2667236 3.26 345.0401611 0.02 345.6538086 0.01 347.2466431 0.02 353.4815063 0.07 355.3479004 0.17 356.8262939 0.15 357.4750366 0.09 369.1458740 0.04 389.1822510 0.20 405.5333862 0.02 414.2863159 0.04 430.4218750 0.04 432.1375122 0.02 439.2537842 0.06 440.7816772 0.01 453.3371582 0.03 463.6113892 0.02 485.3137207 0.02 490.1502686 0.02 492.5415039 0.04 498.5777588 0.07 502.3433838 0.10 503.2402344 0.03 506.1060181 0.01 507.2689819 0.05 509.3164062 0.08 511.3887329 0.21 520.1028442 0.09 522.2030640 0.03 524.1567993 0.03 525.7908325 0.02 526.6458740 0.13 527.5478516 0.18 528.5009155 0.09 529.7621460 0.05 534.2894897 0.65 537.7683716 0.05 544.3721313 0.04 553.4544678 0.14 555.4089966 1.51 563.0482788 0.13 564.2091675 0.05 567.5338745 0.04 569.4259644 0.06 570.0582886 0.03 571.2499390 0.32 571.8666992 0.02 573.1549683 0.07 575.1560669 0.11 579.5309448 0.02 581.2412720 0.33 585.5123291 0.12 587.5202026 0.38 591.5985718 0.16 597.4143066 0.92 599.3650513 4.84 602.7493896 0.05 603.4397583 0.12 611.3566284 0.06 612.6787109 0.04 613.4194946 0.07 615.3660278 2.47 616.1038818 0.01 617.3637085 0.25 618.4673462 0.03 619.4628296 0.06 623.4598999 0.14 624.4230347 0.21 629.4987793 0.24 631.3113403 100.00 631.9353638 0.31 640.6757202 0.23 641.3254395 1.90 643.1668091 0.03 645.4573975 0.13 647.2746582 1.10 647.9360352 0.07 655.2835693 0.08 657.0214233 0.04 658.8960571 3.91 659.5015259 9.52 661.4939575 0.05 663.3906860 0.02 667.5694580 0.01 668.2576294 0.11 669.0192261 0.05 672.7599487 1.76 673.4198608 16.60 681.4730835 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 290.85 Annotation gamma-Pentachlorocyclohexene Peak:m/z Relative Intensity 122.8928757 1.50 189.4616699 0.05 204.8548584 2.69 206.8042603 100.00 212.7405701 0.02 214.9072571 0.07 222.9465027 0.02 231.0769348 0.03 273.0684814 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 380.1559 Annotation (R)-Pantothenic acid 4'-O-b-D-glucoside Peak:m/z Relative Intensity 112.8299789 0.27 116.1026764 0.11 119.0238266 0.16 126.0400238 0.05 128.0517273 0.45 129.0736084 0.22 137.1123047 0.13 143.1264038 0.40 145.9872894 52.26 158.8265686 0.12 161.0314331 0.84 172.8834839 0.33 174.0349731 0.93 179.0454102 0.20 181.2234650 0.07 188.1533508 0.16 194.9963989 0.26 196.0870209 0.22 197.2865601 0.27 199.4758606 0.62 200.1693726 2.73 216.1364136 0.40 218.1499634 2.25 225.3286438 0.20 231.0831299 0.20 232.7114563 0.08 235.0160522 0.07 236.0102539 0.22 241.1945190 0.59 242.2651367 0.11 248.1113281 0.15 263.1885376 1.98 266.8605957 0.19 272.0766602 0.27 290.2813110 10.63 291.2302856 0.59 308.1357422 60.80 308.9675903 0.15 311.9534302 0.36 318.0949402 1.76 320.8929443 0.61 332.9694824 0.17 334.3324280 0.21 335.6454773 0.44 336.2662354 0.29 337.4128418 0.16 342.1766968 0.12 344.4008789 0.21 351.0628052 0.10 352.0827026 0.83 354.2277527 0.09 362.3166809 100.00 363.3959961 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 478.2938 Annotation PC(15:1(9Z)/0:0) Peak:m/z Relative Intensity 141.0332031 0.05 153.1409302 0.06 166.0712891 0.05 196.0757446 1.27 210.2265015 0.02 214.1781616 0.81 230.1046295 0.04 239.3608398 0.02 243.2652130 0.08 253.3484192 0.52 260.0996094 0.02 267.0523376 0.03 281.2951355 100.00 282.1227112 0.06 298.1110229 0.02 305.1178589 0.08 318.2368774 0.11 329.2692871 0.06 343.4453735 0.06 382.2514954 0.06 389.3580627 0.04 393.2029724 0.07 394.0326843 0.02 416.3160400 0.10 417.0541077 0.59 417.7675171 0.15 431.3834534 0.02 432.4263000 0.06 433.6391296 0.17 434.6579895 0.25 442.4740295 0.12 444.2148743 0.04 446.2543640 0.10 450.9424744 0.04 457.1864014 0.07 459.2591858 0.14 460.1611938 0.43 461.6109009 0.28 462.2563171 0.04 477.3727112 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 676.3505 Annotation Unknow Peak:m/z Relative Intensity 193.2343597 0.21 200.9899292 0.31 211.6434937 0.58 212.3122864 0.30 228.9916077 2.83 230.1374512 0.56 235.1739655 2.45 236.2425842 0.70 237.2706299 0.74 244.3877411 0.15 253.0819550 0.79 261.4221191 0.53 279.7423096 0.44 287.0023804 0.14 296.3756714 0.21 306.4409790 0.15 307.2089233 0.34 308.2268677 0.37 309.1964111 1.16 313.4813232 0.18 314.3165283 1.42 321.3236084 0.14 323.0157471 0.12 325.1200562 0.90 337.6271973 0.39 342.2302551 11.52 343.2880249 1.43 344.2107239 0.24 347.4088745 0.28 354.4860229 0.37 361.2994995 0.58 362.0463867 0.15 365.0973511 0.24 373.2856445 0.20 388.5162354 0.17 390.2517700 0.68 393.9036255 1.71 398.9783936 2.46 402.3197632 0.16 407.9752197 3.60 408.8541870 0.14 411.1647949 1.92 414.3923340 0.35 417.4702148 1.04 419.5433960 0.23 436.3140869 1.18 438.4307861 0.23 445.5787964 0.36 446.2658691 0.36 447.2328491 0.21 453.2097168 1.19 454.3438721 0.68 456.2601929 0.55 456.9317017 0.15 462.3860474 0.55 465.6599731 4.93 470.3706665 0.29 474.4420776 0.45 476.5431519 0.45 477.9861450 0.29 480.4296875 0.50 482.0920410 0.11 485.4873657 0.14 486.3846436 0.64 493.4728394 1.02 497.8076782 0.54 500.5178833 0.46 501.1893921 0.83 502.5492554 1.62 503.4440918 0.59 506.9038086 0.12 514.7851562 1.34 520.4287720 0.24 539.9874878 0.27 542.2243042 0.36 544.4629517 0.09 548.1809692 0.65 555.0788574 1.66 558.2213135 0.83 559.0977173 0.78 559.9811401 0.78 561.1347046 0.52 568.0714722 0.20 572.7543335 0.31 573.4345703 0.91 578.2670288 0.35 579.3352661 0.08 580.0972900 1.78 582.9262085 1.61 586.5294189 0.40 590.0758057 0.16 591.7332153 3.32 592.6440430 0.35 608.7633667 0.29 610.6618042 0.67 613.4676514 1.46 614.4141846 1.09 617.4331665 4.62 618.3800659 1.74 619.0859375 0.26 619.7781372 1.42 622.7154541 1.00 624.4110107 0.45 626.9104004 0.22 628.4888306 1.86 629.2467041 0.17 630.5126953 3.77 631.5466309 2.28 632.5153198 0.60 633.3903198 0.16 636.7873535 7.76 639.1742554 5.16 641.1182251 27.91 641.9344482 2.65 643.0532227 1.73 643.6677856 13.66 644.2681274 6.45 645.3538208 4.04 646.7770386 0.87 648.0740356 100.00 649.4625244 3.79 650.6600952 1.11 651.3987427 0.79 652.2997437 14.95 653.0391235 15.04 654.4729004 1.07 656.4453735 0.72 658.4569702 0.66 659.3925171 2.01 661.1259766 0.84 661.7996216 0.30 663.4138184 1.43 664.0969238 1.60 667.5937500 3.18 668.6540527 2.02 671.0942993 0.26 679.4894409 0.15 692.6218872 0.51 695.7221680 0.70 698.2483521 2.57 701.0842285 1.11 701.7556763 0.41 703.8900146 0.55 704.6764526 0.90 705.4354248 0.52 706.8365479 4.66 707.4782104 3.67 709.1893921 3.36 710.1520996 0.96 713.2792358 2.33 714.7305908 0.16 717.2433472 3.12 718.2933960 1.53 719.5202637 0.18 722.7553711 5.99 723.6633911 1.18 724.2642212 0.77 731.9010010 0.67 733.2887573 1.20 734.3269653 0.80 738.0769653 0.39 739.6030884 2.81 741.5424805 0.45 745.4933472 56.90 746.3450317 8.50 747.2913818 0.76 747.9157715 0.25 749.5880737 7.73 750.3610229 0.94 753.1760864 0.20 755.7485962 0.82 757.2861938 1.93 758.2036743 1.18 762.6005249 1.26 765.0939331 3.02 766.1020508 0.07 766.7352905 0.95 768.5703125 0.21 769.7380981 2.66 773.7083130 1.28 774.5515747 0.20 782.2277222 4.33 786.3654785 0.38 788.1842041 25.22 789.1421509 3.21 790.2876587 0.15 793.0252075 0.21 794.3727417 1.51 795.5232544 3.69 796.4283447 0.89 797.3063354 1.01 798.2749634 0.46 800.6093140 0.15 802.8811035 0.92 806.2913818 2.36 806.9373169 0.62 808.1851196 2.35 809.0494995 1.86 810.0802612 0.49 810.6911011 0.75 812.2030640 13.38 813.0009155 1.14 813.8570557 1.63 814.6102295 2.80 815.5746460 1.61 817.2121582 4.86 817.8806763 76.34 818.7250366 18.38 819.3876343 0.14 820.2835083 0.27 820.9600830 0.56 821.7654419 0.54 823.5075073 0.65 826.0010376 6.63 829.7019653 0.41 832.4614868 0.90 833.5806274 0.41 835.0382690 0.54 837.6530151 0.14 842.1423340 1.06 843.1477661 0.43 844.4393311 0.91 845.5927124 1.21 846.3062744 0.25 849.3447876 1.37 850.1304321 1.71 851.5845337 0.77 852.2482300 1.22 854.3380127 2.45 857.5985718 4.95 858.9324341 1.21 859.8183594 0.24 861.4921265 2.69 863.5510864 30.65 864.2549438 13.45 865.6047974 0.73 866.6840820 0.55 869.6106567 4.77 870.8870239 0.47 871.6359253 1.05 873.5753784 0.59 874.2966919 2.40 879.0729980 1.73 880.6005249 0.20 884.5928345 0.85 887.8132324 13.98 888.7651367 3.67 889.5183105 0.29 890.6061401 0.27 892.2042847 0.52 893.7831421 0.28 908.4830933 0.20 910.2065430 0.15 911.5554810 0.26 929.6267090 2.85 930.3192749 0.07 931.8034058 0.90 942.3289185 3.78 943.0936890 0.06 957.8255005 0.45 958.4421387 0.51 968.5086060 0.39 971.0938110 0.84 974.6079712 1.08 977.8154297 0.45 979.7265625 0.48 980.6149902 0.44 982.2180176 1.48 983.0731812 1.02 991.1855469 7.96 992.0090332 4.84 993.3663940 2.41 1000.4863890 0.24 1001.9996950 0.63 1003.6724240 0.53 1019.8024900 0.32 1030.0109860 0.46 1039.7432860 0.20 1042.3613280 0.63 1043.6130370 2.88 1044.7071530 0.17 1046.7701420 0.62 1055.5257570 6.36 1056.2401120 0.56 1058.6362300 0.25 1059.7744140 1.66 1060.6983640 2.00 1063.8142090 0.40 1068.7384030 1.28 1069.6562500 0.50 1072.2678220 0.59 1087.5056150 0.38 1091.4382320 0.60 1096.6387940 0.28 1112.3057860 0.29 1115.5819090 0.43 1118.8681640 1.12 1120.8066410 0.14 1123.6589360 0.27 1125.7684330 0.28 1145.9973140 1.00 1158.4431150 0.54 1206.6071780 0.08 1207.9272460 0.20 1209.7965090 0.13 1223.7535400 0.47 1229.2419430 0.12 1230.1925050 0.33 1231.7597660 0.70 1246.7994380 2.03 1259.6105960 0.48 1261.7932130 0.60 1276.6351320 0.56 1278.0343020 0.51 1304.8436280 1.01 1306.8222660 0.41 1337.5731200 0.29 1368.2327880 0.21 1392.8863530 0.66 1402.7850340 0.22 1419.3944090 0.92 1427.8218990 0.26 1432.7774660 1.46 1433.8988040 0.17 1434.9320070 0.86 1478.2478030 0.42 1488.3261720 0.18 1497.1168210 0.11 1517.6583250 0.70 1520.3404540 0.28 1530.7530520 0.17 1546.8767090 0.86 1560.2425540 0.60 1618.2982180 0.16 1618.9549560 0.18 1630.5197750 0.38 1636.1004640 0.27 1684.8645020 0.26 1748.8132320 0.38 1774.0109860 0.17 1774.6756590 0.09 1857.2150880 0.32 1857.9002690 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0856 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 77.04974365 0.42 78.95089722 1.39 84.87805176 0.35 89.00621033 0.91 92.93571472 1.98 95.0491333 1.16 96.90981293 0.57 103.026947 4.62 104.7863159 2.96 107.11763 1.54 108.872818 1.61 116.9790497 0.66 119.045578 0.84 123.1340332 1.64 125.1031342 0.35 127.2312775 1.22 128.0307465 2.48 128.8911743 5.97 130.484726 0.66 133.208313 4.55 133.8210907 0.38 135.1499176 1.60 136.9597931 5.60 141.1265106 4.24 142.6450348 0.43 150.9540558 100.00 151.9090729 6.17 153.155365 0.95 155.1854553 0.39 157.0555267 1.47 160.9362335 0.69 162.157135 1.10 165.1488647 6.32 167.057724 8.98 169.0693817 6.17 171.2170868 1.78 175.1396637 8.51 177.0919952 2.96 178.1808929 0.39 179.1792297 6.41 180.9303284 1.02 182.1459656 0.59 183.2425232 5.44 184.0003204 1.27 185.0982819 1.81 187.1113892 0.46 189.2680206 0.76 191.2260895 1.22 192.7368622 2.28 194.3383942 2.77 195.0483246 17.25 196.0281372 1.61 196.9690094 5.39 207.0439606 8.28 209.6265564 4.15 211.1341705 5.90 211.9907532 1.63 216.078598 1.03 217.1632996 15.82 221.0751038 1.09 225.1348724 15.78 233.9331207 1.98 235.1255646 34.40 235.9746857 0.67 238.1024017 24.97 239.1152191 4.65 253.0805206 78.31 254.1203613 4.85 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 616.75 Annotation Unknow Peak:m/z Relative Intensity 196.9281311 0.29 212.7200317 0.08 280.8295898 4.76 296.7383423 1.24 349.1611938 0.06 364.6751709 22.44 365.4304810 0.05 368.8273315 0.09 378.1077271 0.13 380.6292725 3.67 446.7592163 0.17 448.1071167 6.78 448.7305298 41.66 461.8894653 0.11 463.5499878 0.09 464.5710449 4.17 465.2690430 0.03 466.5187378 0.14 480.9887085 0.07 530.8968506 0.43 532.5165405 100.00 533.1624756 1.60 548.4416504 0.55 569.6510010 0.65 573.9585571 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1169.5134 Annotation Unknow Peak:m/z Relative Intensity 379.3461304 0.60 397.6599731 0.06 415.5843811 0.35 419.4289856 0.07 433.5252686 0.23 467.0891724 0.13 475.2214661 0.10 517.7066650 0.18 541.5584106 0.04 559.5892944 0.14 561.4490356 0.27 577.5090332 1.28 595.5206299 2.15 637.4938354 0.06 648.0483398 0.13 650.0170898 0.12 664.6380615 0.30 679.4671021 0.30 697.5098267 0.17 718.3189697 0.14 720.9489746 0.15 721.5498047 4.73 739.4555664 21.62 740.0965576 0.27 749.0295410 0.29 757.5078125 18.98 777.7161255 0.14 781.3995972 0.39 787.5735474 0.23 795.4604492 0.08 797.8345947 0.05 799.4981689 0.30 800.3668823 0.13 823.3510742 0.18 831.2991943 0.40 836.6346436 0.24 845.3883057 0.16 847.5789795 0.30 853.4212646 0.23 875.5806885 0.19 883.4266357 3.22 898.3217773 0.33 901.4528809 62.54 902.1855469 0.11 919.4976807 94.87 920.2397461 0.34 941.7058105 0.13 945.2467041 0.54 961.3255615 0.08 963.7336426 0.11 971.6463623 0.32 973.6877441 0.11 987.6114502 0.11 989.1997070 0.84 989.8443604 0.94 990.7747803 0.18 992.3785400 0.06 993.3304443 0.81 996.5422363 0.18 1007.5727540 9.35 1008.4866940 0.57 1033.9510500 0.30 1035.4545900 0.22 1041.5810550 0.11 1047.6217040 0.20 1051.2441410 0.57 1053.3624270 0.18 1059.8013920 0.16 1064.3901370 0.08 1065.2109380 0.07 1071.3378910 0.18 1075.3513180 0.15 1077.7166750 1.06 1079.2963870 0.26 1081.6174320 0.32 1082.3635250 0.23 1092.2458500 0.08 1096.3681640 0.09 1109.4414060 5.04 1115.6257320 0.22 1120.4086910 0.28 1121.3756100 0.15 1124.3701170 0.30 1131.2080080 0.57 1133.6132810 7.45 1136.3210450 0.42 1138.8876950 0.63 1146.9532470 0.59 1148.5734860 0.32 1151.5917970 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 458.1791 Annotation 5-Methyl-THF Peak:m/z Relative Intensity 163.0086212 0.51 164.1781311 0.14 191.1862793 0.22 221.6593781 0.21 270.4618835 0.21 277.1221924 0.80 278.1840820 0.54 279.2650452 0.41 283.6691284 0.20 285.9932861 1.44 295.4698181 0.06 301.1254272 0.15 305.2092896 0.14 313.9965820 0.07 321.9471436 0.09 326.4197998 0.07 329.1881409 100.00 330.2132568 0.14 337.9032593 0.12 352.2350159 0.25 354.2234497 0.15 368.0384216 0.07 370.0715942 0.23 371.3101807 5.01 372.3882751 0.23 379.0418396 0.25 392.1937561 0.16 396.2239685 0.11 398.2181396 0.10 400.1122437 0.06 410.4524841 0.09 411.4907227 0.23 412.3373413 0.51 414.3914185 7.48 415.1408691 0.14 430.0594177 0.11 430.8570557 0.08 440.2749939 26.12 441.0316772 0.11 443.4417725 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0713 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 100.6439209 0.38 105.0504303 0.50 133.0862427 0.33 149.2081757 0.81 150.2948151 0.30 160.9637909 0.42 165.0246429 1.16 167.196701 1.28 174.2362823 0.50 179.0649872 0.79 181.0390472 0.85 183.1821442 2.17 191.1988678 0.38 193.1621552 0.25 195.0698242 0.67 205.0870361 0.47 206.1187592 1.33 207.2145386 14.73 208.2173767 6.10 209.2602386 4.18 214.8721466 1.41 220.8175507 1.10 222.2024384 2.01 223.1521759 5.78 223.926651 0.60 235.0623322 1.34 251.070755 100.00 252.1388092 19.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 413.1487 Annotation Unknow Peak:m/z Relative Intensity 150.8905640 1.05 168.9892883 7.37 170.0342102 1.08 190.8853912 0.23 193.0598145 0.74 222.9189301 0.34 233.2524109 0.60 239.1264038 0.25 241.0376282 49.95 241.9508057 1.82 244.3014221 0.35 245.3729553 1.33 257.1321106 2.91 259.0951233 100.00 260.0458069 1.60 285.1199341 18.13 286.1041260 0.99 291.3413086 0.89 297.0380249 0.32 323.3494263 0.23 324.3754578 0.30 325.4159241 0.57 353.2254333 0.38 356.9692688 0.25 369.5065002 0.61 395.2056274 1.78 396.1714478 0.34 403.2268066 0.55 413.2929382 2.61 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0851 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 77.00520325 0.34 95.21351624 0.31 102.8691711 0.11 104.073761 0.74 104.9607391 0.28 108.0652466 0.21 108.8253326 0.50 128.8779602 2.44 130.0700226 2.56 140.9050446 0.11 142.1764984 0.36 151.0013275 26.98 151.9186554 24.44 153.2233124 0.55 156.2456055 0.74 158.291626 0.28 167.0519257 0.53 168.1261597 0.23 169.9266968 0.35 171.0141296 0.14 178.036972 0.13 179.1127167 1.64 180.1544495 0.64 181.1301117 0.64 183.1399384 0.52 184.3455658 0.14 185.0344849 0.22 186.1979523 1.75 190.1418915 0.31 195.1012878 0.43 196.9121246 0.08 198.285965 1.59 208.2155304 0.59 211.1986389 0.25 212.0634766 0.40 225.1821747 0.44 226.0825958 5.75 235.9265594 0.44 237.9862671 2.24 239.154007 7.58 239.9072113 1.65 250.7579193 0.15 253.0831757 100.00 254.1165771 50.25 255.2068329 0.95 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1095.2806 Annotation Cyanidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside Peak:m/z Relative Intensity 327.0839844 0.03 328.9964600 0.02 329.9483032 0.09 331.2297974 0.03 357.2395630 0.02 371.9766846 0.01 402.2654114 0.03 431.3447876 0.03 461.2824402 0.02 469.4890137 0.04 489.2773743 0.05 493.3683167 0.05 497.0952759 0.03 505.3553467 0.12 601.2208252 0.07 607.2805176 0.03 613.0634766 0.01 637.2170410 0.14 655.3909912 0.10 688.1702881 0.15 693.3708496 0.05 739.4598999 0.04 757.4458008 0.42 758.9858398 0.02 763.4356689 0.07 768.6559448 0.01 769.3701172 1.63 771.2858887 0.05 783.1781006 0.10 787.3457642 32.90 801.3444214 0.48 811.1021729 0.14 817.1839600 0.04 824.4672852 0.03 829.1871338 0.34 895.4020996 0.06 901.3057861 0.05 905.6525879 0.04 912.7231445 0.11 913.5704346 0.03 915.4753418 0.10 919.2718506 0.31 922.2016602 0.02 931.4818115 1.02 933.2703857 100.00 933.9294434 0.20 945.2296143 0.06 949.3023682 4.54 957.2629395 0.04 960.5489502 0.02 961.5599365 0.03 963.3768311 1.22 975.3404541 0.30 981.1530762 0.04 986.5910645 0.03 1023.6936040 0.06 1048.5101320 0.06 1057.8171390 0.20 1062.3757320 0.06 1076.2380370 0.12 1077.3527830 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 448.74 Annotation Unknow Peak:m/z Relative Intensity 196.8856506 1.86 206.7518311 5.21 207.3932190 0.19 253.0757141 0.17 278.8711853 0.97 280.8184814 48.19 288.8541870 0.82 290.8146973 48.53 300.7504883 0.70 303.4360352 0.61 318.7504883 1.90 320.0650330 0.85 362.8609009 10.67 364.6582642 100.00 365.2636719 1.27 370.7833862 2.41 372.8765564 10.06 374.8748169 11.30 376.8490601 1.01 390.4144592 0.73 402.7624207 16.22 413.1769104 0.53 431.6480408 0.81 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 697.2993 Annotation Unknow Peak:m/z Relative Intensity 221.3238525 0.37 229.2839661 0.30 245.3675995 0.52 247.0785675 1.72 263.2048645 0.23 291.2267151 0.20 307.1726379 0.41 325.1904297 0.46 349.3446655 1.53 350.2977905 0.16 367.3328857 2.22 368.1444092 0.36 373.4047852 0.43 375.2165527 0.19 401.0776367 1.38 404.4039917 7.50 405.1318970 0.35 418.9775391 0.14 423.3771973 0.84 434.8062134 0.19 439.4534912 13.44 440.4993896 2.15 446.3575439 1.12 447.1276855 0.53 453.2455444 2.48 482.4279175 1.24 484.2989502 0.16 488.1125488 0.19 498.1824951 0.48 501.0616455 0.24 522.7613525 0.48 523.3745117 0.66 550.6369019 17.17 567.3715210 0.73 568.2864380 0.50 579.0805054 2.01 583.9777222 0.30 585.3210449 3.85 586.3320923 1.01 587.6432495 0.36 597.9158325 0.48 601.0573120 1.43 602.0615234 0.41 616.4191284 12.76 617.1730347 2.28 619.3606567 1.03 631.4927368 100.00 632.2644653 1.30 633.8493042 0.10 636.4898071 0.26 668.6239014 0.25 747.4281616 1.91 775.4566650 0.18 788.6825562 0.68 789.3820801 0.88 809.3582153 10.50 810.2714233 0.68 851.4706421 5.15 852.4745483 0.50 893.3095703 6.60 894.1650391 0.77 895.4047241 2.06 937.6416016 0.30 955.3129883 1.09 971.1870117 0.15 1025.5053710 72.71 1026.5231930 19.82 1083.4763180 1.55 1084.3894040 0.34 1087.6357420 8.61 1088.8096920 0.73 1245.4281010 4.33 1246.3247070 0.89 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 731.2955 Annotation Unknow Peak:m/z Relative Intensity 229.0929260 3.01 233.2121429 0.23 256.0919800 0.13 261.0131226 0.45 267.0677490 0.20 301.4782104 0.20 310.4160767 0.17 334.7077637 0.20 340.3959961 0.69 353.1318359 0.12 358.3163757 1.49 359.0821533 0.67 368.3500366 0.26 390.7189331 0.42 392.1840210 0.35 414.8416138 0.26 448.4765015 0.49 449.7960815 0.36 455.0202026 0.25 472.5400391 0.06 476.8812256 0.06 489.2337646 0.23 516.7462769 0.12 532.7416382 0.12 536.4942017 0.26 543.5444946 0.30 549.4448853 0.51 553.8728638 0.22 557.9429932 1.78 559.0289917 0.26 566.3438110 0.06 567.6058960 0.28 569.1000366 0.87 577.3613281 0.95 601.2211914 0.32 603.3156738 0.34 612.2763062 0.45 613.4537964 0.58 614.9568481 0.44 615.6706543 0.34 627.1939087 1.69 633.3541260 0.98 634.8785400 0.97 639.4297485 0.28 640.0806885 0.30 641.3784790 0.11 643.1598511 0.92 644.5737915 1.00 652.4106445 0.27 654.8649292 1.25 656.2668457 0.39 658.8915405 0.31 659.5817871 1.96 661.5792847 1.36 666.4597168 0.15 667.4494629 0.25 671.4885864 1.84 674.8441772 0.92 678.4298096 1.81 679.1409302 0.23 682.2556763 1.33 685.8468628 1.92 687.2823486 1.31 688.9638062 1.58 689.7865601 1.99 690.7785645 0.50 693.5357056 12.51 699.5393066 0.44 702.5605469 0.86 703.4581299 1.00 706.8842163 1.43 708.0807495 0.40 709.7843628 7.60 710.4476929 0.59 712.3201904 0.13 712.9985962 1.91 716.1582642 0.44 718.4798584 1.27 719.1389160 1.13 720.2279663 0.07 721.0958862 0.32 724.2756958 0.27 741.4929810 0.89 745.4742432 0.08 748.3897095 0.15 754.5136108 0.60 759.9887695 0.97 763.6705933 1.49 769.0616455 0.37 770.6563721 0.61 778.6735229 0.33 782.0810547 0.39 782.9954224 2.24 784.4738770 0.26 787.5289307 1.24 788.8659668 1.18 790.9124146 2.00 792.3343506 0.41 793.9708862 1.31 794.6726685 1.64 795.8013306 2.84 796.7865601 0.87 797.9202271 0.25 799.2675171 18.08 799.9238281 5.43 801.2782593 0.46 802.1010132 0.69 802.7245483 0.42 803.6967773 0.28 806.0127563 4.93 807.9211426 0.46 812.7789307 1.13 818.8932495 3.12 819.6555786 0.79 821.0031128 1.23 822.7257690 4.18 823.4337769 5.66 824.0957031 0.13 825.2208252 5.46 826.5133667 27.38 828.1737061 9.77 828.8706665 2.62 829.5787354 0.99 830.3715210 0.58 832.0490112 100.00 833.2193604 1.66 834.5315552 0.97 836.6152954 1.35 837.5090942 0.53 838.8496094 8.52 839.5837402 1.02 840.3281860 0.06 843.5442505 0.19 850.3573608 9.51 852.6450195 0.34 863.1946411 1.12 867.3198853 0.27 868.7855835 1.12 873.5971069 1.52 874.8513794 0.40 876.7973022 0.81 879.3366699 0.54 882.2118530 0.25 885.5377808 1.63 886.6831665 1.06 889.0708008 1.05 892.7664185 1.01 893.7500610 0.06 895.7683105 1.15 896.6046753 0.28 898.8479004 1.81 906.6210327 0.68 915.6618652 1.25 916.9180298 0.59 920.7286987 0.67 923.2719727 0.55 924.9548950 0.81 925.5851440 1.49 929.0595703 0.76 934.8099976 0.26 936.4321289 1.63 938.2009277 0.08 939.0111694 0.87 943.4086304 1.38 946.2523804 1.39 947.2385254 0.33 950.4201050 5.77 951.3351440 1.46 964.3574219 0.73 969.3096313 1.57 976.7199097 0.28 977.5741577 0.61 978.2882690 0.29 980.1726074 0.14 984.2034302 0.65 991.1432495 2.19 991.8318481 2.35 994.6453247 1.18 995.2755737 0.33 998.8183594 4.55 1002.9028930 0.60 1005.4653930 4.64 1006.5878910 1.48 1019.5624390 0.35 1029.7519530 0.17 1031.1488040 1.33 1040.1713870 0.40 1047.8542480 0.66 1049.2460940 0.77 1063.2912600 1.00 1077.7744140 0.66 1088.4846190 0.08 1098.7272950 0.15 1114.6820070 0.13 1117.3930660 1.27 1128.0371090 0.71 1137.9736330 0.39 1145.1718750 0.46 1196.9230960 0.36 1241.8370360 2.38 1243.3256840 0.24 1251.6103520 0.54 1261.5158690 0.77 1349.5124510 0.10 1384.3529050 0.37 1395.0842290 0.42 1396.8262940 0.16 1453.5815430 0.17 1522.2340090 0.28 1736.7022710 0.37 1741.0534670 0.11 1789.6448970 0.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 655.3485 Annotation Dysoxylin D Peak:m/z Relative Intensity 187.1875305 0.53 193.0034332 58.22 194.0942230 7.68 194.7652435 0.14 197.1098328 0.16 206.3166199 0.77 213.1476746 0.50 219.4338989 0.41 228.4870148 0.10 230.9967957 0.86 232.2565308 1.49 233.1314087 0.34 239.2597198 0.31 245.3385315 0.55 249.3349152 1.09 250.4969177 0.17 255.0675354 0.33 257.0475159 0.22 265.1318970 0.15 267.2207336 1.87 268.1755371 0.55 269.2487183 0.19 273.2079163 0.54 278.9737854 0.99 283.2643433 3.48 284.5679932 1.47 285.2845459 0.30 287.3770752 0.20 293.1337891 0.11 299.2389526 0.29 301.3853149 11.42 302.2083740 1.30 303.3817749 0.21 311.4920044 0.78 312.7299194 1.01 314.3423157 0.23 316.3957520 0.43 319.3784790 0.87 320.5249634 0.22 323.5317383 0.10 327.2506714 1.15 328.4714355 0.26 329.2949829 0.13 331.2752075 1.00 340.1893311 0.24 343.2590942 0.46 345.6265869 0.22 346.6008911 0.18 352.2798462 0.27 355.1675415 0.11 356.1275024 0.41 361.2716675 0.38 362.4683838 0.59 367.3503418 1.68 368.3375854 2.01 369.3061523 0.35 373.3931274 2.11 374.3029175 0.44 385.4877930 0.83 389.5989990 0.30 390.6976318 1.01 393.7418823 0.09 401.4085693 0.32 403.2141113 1.27 404.4114380 0.98 405.3419800 1.45 407.5449219 0.54 409.5936890 0.38 410.5088501 0.42 417.4562378 0.14 425.4803467 1.70 427.4019775 0.45 428.4304810 0.70 433.0126953 0.11 437.4247437 0.17 438.5095825 0.40 440.4186401 0.23 441.3352051 0.46 443.4287109 2.87 444.7413940 0.70 445.5135498 0.58 446.2075195 1.30 451.6005249 0.28 461.4348755 12.63 462.4954224 3.13 475.9493408 0.17 477.1881714 0.69 479.4100952 8.15 480.4321289 3.60 481.3912354 0.80 492.2610474 0.13 495.3107910 100.00 496.3533936 35.86 497.0137939 0.20 505.3735962 0.15 506.6045532 0.48 519.7849121 0.23 523.4251099 2.33 524.1445312 0.74 524.8408813 0.18 550.5324707 0.19 564.7645874 0.89 567.5075073 0.62 568.2226562 0.36 569.2786255 0.17 593.2213135 0.46 594.6343384 0.13 596.3642578 0.11 606.5738525 0.43 607.5702515 0.92 608.3253174 0.77 609.3252563 0.33 610.5098877 0.53 611.7163086 0.70 612.3794556 0.15 613.3798218 0.38 622.6854858 0.73 623.4011841 0.13 624.3265381 0.13 625.6694946 0.52 626.3816528 2.20 637.4845581 26.05 638.5117188 18.92 640.3873901 23.07 641.4426880 11.81 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 280.82 Annotation Unknow Peak:m/z Relative Intensity 96.7540817 0.08 112.7686462 93.20 122.8074036 3.26 151.6012421 0.06 182.9480438 0.12 196.7562561 100.00 204.8847046 29.32 206.8288879 22.59 212.7944946 1.10 223.1699829 0.10 261.9507141 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 683.272 Annotation Humilinolide F Peak:m/z Relative Intensity 227.1965179 0.09 230.4713440 0.02 241.4433899 0.03 253.5628662 0.02 254.6071472 0.08 278.1223755 0.03 295.4688110 0.07 309.4274292 0.02 314.1497803 0.08 321.0606689 0.12 321.8705444 0.09 323.2737427 0.06 324.2828979 0.20 329.0654907 0.03 335.1212158 0.02 337.0030823 0.25 342.9622803 0.18 344.1058655 0.05 355.5067139 0.05 365.1029663 0.03 367.2484741 0.03 386.1483765 0.03 397.2098999 0.10 400.1928711 0.06 405.2655640 0.01 408.2050781 0.02 425.6150513 0.04 442.2473145 0.10 448.4069824 0.12 456.3140259 0.02 458.3330078 0.29 462.3627930 0.31 469.3491211 0.03 473.6270752 0.02 474.5965576 0.04 487.7250977 0.06 488.4672241 0.19 489.8560181 0.45 490.5361328 0.18 491.6553345 0.04 497.4237061 0.04 501.5524902 0.20 504.6170044 0.12 506.1405029 0.04 506.7860718 0.09 507.3988037 0.07 510.6073608 0.05 518.2301025 0.07 519.4057007 0.29 522.2926636 0.14 528.5457153 0.03 533.2397461 0.03 538.2299194 0.01 546.1416626 0.03 547.4525757 1.23 551.2411499 0.03 555.2006226 0.02 565.2320557 0.86 575.1249390 0.11 578.2974243 0.07 579.3687744 0.03 583.2664795 0.20 591.3624268 1.17 594.4860229 0.05 596.1064453 0.09 597.4695435 0.01 599.7273560 0.06 606.1116943 0.41 607.3396606 33.24 608.0052490 0.08 609.0728149 0.61 609.7047729 0.07 610.3073730 0.48 611.6166382 0.15 612.4010620 0.03 614.5422363 0.05 622.8185425 0.32 623.4187622 1.43 636.0803833 0.04 638.3535767 0.21 639.3300171 0.88 640.0130005 0.01 641.1984253 0.03 651.2670288 100.00 652.0302734 0.08 665.4874878 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 667.1489 Annotation Cyanidin 3-(6''-malonylsambubioside) Peak:m/z Relative Intensity 193.1378937 0.08 209.2897644 0.03 216.3462067 0.02 217.0643311 0.10 228.2420197 0.01 233.0994415 0.04 239.2430573 0.02 244.0023956 0.09 254.8129272 0.32 256.2358093 0.10 273.2852478 0.07 276.6593628 0.04 277.3056335 0.02 278.2590332 0.16 283.8118896 0.01 285.2187195 0.02 288.5000305 0.01 298.2528076 0.06 302.3286133 0.03 309.7309570 0.08 313.0969238 0.20 314.2872925 0.01 317.2459106 0.02 330.0847778 11.16 331.2286377 0.10 332.0888672 0.02 335.2440491 0.06 336.1364746 0.02 341.0913696 0.03 345.1296387 100.00 346.2145996 0.62 347.1701050 0.09 351.3511963 0.54 352.3469238 0.30 357.0469360 0.05 359.2817993 0.14 361.6165161 0.03 370.3601074 0.01 371.0649414 0.07 376.4223633 0.04 377.6044922 0.05 380.2277222 0.02 397.2374268 0.01 401.4326782 0.01 409.3524170 0.03 415.6417847 0.12 416.3320923 0.03 417.6773682 0.01 418.4516602 0.06 423.2107544 0.01 430.3278198 0.05 434.4511108 0.10 442.2966919 0.02 444.0417480 0.10 452.0559692 0.04 452.8795166 0.08 453.5831909 0.03 455.4132080 0.04 456.1600342 0.04 469.5454102 0.04 471.3385010 0.02 472.2953491 0.12 473.1591797 0.05 476.4117432 0.04 477.3547363 0.03 478.0797119 0.06 480.5039062 0.02 481.3909302 0.04 482.8037720 0.03 484.5987549 0.05 486.4125977 0.04 487.3782959 0.08 489.7077637 0.13 490.4216919 0.22 491.3080444 0.09 504.3209229 1.02 505.2387085 0.71 507.0639038 0.04 509.3306885 0.05 521.1721802 34.34 527.7073975 0.12 532.4287109 0.03 545.2767334 0.04 546.2656860 0.01 555.5020752 0.03 560.4387817 0.02 563.2698364 0.03 567.2048950 0.03 578.0388794 0.05 579.0166626 0.03 581.5050049 0.04 585.6791382 0.05 586.3250122 0.17 587.2109985 0.34 591.1207275 0.05 596.1852417 0.04 599.3864136 0.04 604.5890503 0.06 609.5874023 0.04 610.8290405 0.08 613.7031860 0.02 616.0434570 0.02 617.4147339 0.02 618.3198242 0.02 621.0448608 0.05 622.3598022 0.15 623.4523926 0.17 628.8034058 0.07 630.4155884 0.28 631.4977417 0.06 634.2752686 0.11 635.4846802 0.11 636.9111938 0.03 638.5512085 0.06 639.3340454 0.12 648.3374634 1.03 649.1841431 0.51 657.8833618 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 251.069 Annotation Gamma-Glutamylcysteine Peak:m/z Relative Intensity 75.9442444 0.39 83.9050064 0.36 86.9154205 0.96 91.1349945 0.11 100.9000702 0.07 104.8571930 1.82 107.9632721 0.03 117.0993500 0.08 121.8669739 100.00 122.7639465 0.02 129.9906158 12.45 134.7341614 0.07 136.2512970 0.03 139.4004822 0.06 145.6208038 0.08 147.9420624 0.36 149.3503265 0.14 175.0973816 0.12 186.9052582 0.40 188.0524139 3.29 189.0123596 0.03 204.9637604 2.09 207.9123993 0.10 215.0758820 0.62 217.0078888 0.02 221.1217194 0.10 222.9880066 0.12 229.1074066 0.06 233.0331421 7.82 234.0116119 22.70 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1173.5333 Annotation Unknow Peak:m/z Relative Intensity 439.6779175 0.20 501.1319275 0.09 544.3143311 0.15 629.4494629 0.07 647.7017822 0.17 678.2747192 0.34 853.0246582 0.20 941.7957764 0.16 956.5963135 0.28 997.7709961 21.09 998.6149902 100.00 999.6730957 28.42 1040.6352540 0.11 1059.6539310 0.36 1112.5634770 0.44 1130.5433350 0.12 1156.5435790 0.52 1157.5754390 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 592.26 Annotation Unknow Peak:m/z Relative Intensity 306.3389282 0.10 318.0610352 0.03 399.5355225 0.10 411.2316284 0.15 446.4371948 0.09 457.3083496 0.19 459.5319824 0.06 472.4039917 0.05 473.1655273 0.04 482.0796509 0.29 511.7617798 0.05 513.4636841 0.17 514.3652344 0.44 515.4559326 64.29 516.3570557 57.54 517.0103149 0.18 518.3009644 0.16 519.3955688 0.17 520.6524048 0.38 532.6445923 0.05 537.5045166 0.33 538.4237671 0.37 545.6592407 0.29 547.3320312 15.05 548.4064941 7.07 549.3756104 0.41 555.7976074 0.08 559.2299805 100.00 560.2093506 79.85 561.1074829 0.06 563.2789917 0.13 564.3474121 0.05 573.3693237 0.82 577.1400757 0.35 592.4061890 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 782.4731 Annotation Unknow Peak:m/z Relative Intensity 220.5741882 0.03 221.3634033 0.04 229.0656586 0.03 233.1642303 0.14 238.2389526 0.03 239.1430359 0.55 245.0495453 0.04 250.3081512 0.16 251.2527466 0.03 257.2227478 0.05 262.8566589 0.11 265.0533752 0.74 269.1719360 0.17 272.1286011 0.11 282.9471436 0.73 283.9894409 0.13 285.0800781 0.06 286.7428589 0.16 294.0280457 0.16 298.1914673 0.03 300.2012329 0.57 302.7507629 0.04 307.0600586 0.03 309.0010071 0.58 309.9131775 0.08 313.0991821 0.31 321.1253052 0.06 325.9556885 0.07 327.2139587 0.63 328.2472534 0.08 331.3004150 0.09 333.0113525 0.03 335.1986084 0.03 338.1847534 0.44 339.1668091 0.09 344.2179260 0.43 346.7240906 0.15 347.7761536 0.07 352.7089844 0.40 353.4688721 0.07 355.2745972 0.01 357.3999634 0.22 358.5567627 0.02 360.0633545 0.15 371.2126465 0.52 372.3662415 0.07 373.3704224 0.24 375.3431396 0.44 380.7644043 0.17 382.1943970 0.09 385.3405762 0.21 386.3524780 0.02 388.3291016 0.79 389.9338379 0.12 390.9531860 0.03 395.0371704 0.18 397.2370605 0.16 398.8294067 0.07 401.4157715 0.39 403.4042969 0.03 404.2623901 0.06 407.4598389 0.03 408.6746216 0.12 413.1885376 0.17 415.3869019 0.25 416.3456421 0.03 417.2155151 0.06 419.4865723 0.18 421.1201172 0.05 425.4147339 0.15 426.1365356 0.60 428.2334595 0.03 432.2860718 0.63 433.0683594 0.09 434.8594971 0.34 436.3589478 0.03 439.1813354 0.11 444.5569458 0.13 446.0150757 0.04 448.6530151 0.05 453.3920288 0.03 456.7647705 0.32 459.3194580 0.28 461.4554443 0.04 463.2552490 0.06 470.5015259 0.17 476.4769897 0.40 477.3634033 0.11 478.0561523 0.15 478.8153687 0.57 483.2878418 0.04 491.0308228 0.15 492.0186768 0.51 496.4042358 0.04 498.5652466 0.12 500.7556152 0.36 503.3012085 0.79 504.2921143 0.13 505.0539551 0.08 507.3229370 0.38 508.1279907 0.02 513.9716187 0.25 514.8793335 0.09 520.3502808 0.34 521.2535400 0.05 522.0576172 0.06 522.8109131 0.32 527.5370483 0.12 529.2921753 0.08 533.6877441 0.03 534.6160889 0.03 536.3180542 0.59 544.7877808 0.52 547.3104858 0.25 548.3991699 0.10 549.1774292 0.22 551.2657471 0.16 552.9838257 0.09 556.5918579 0.06 558.4789429 0.76 564.5177002 0.96 565.5686035 0.07 566.9693604 0.39 571.3645630 0.06 572.2569580 0.06 579.9752197 0.57 580.7922974 0.02 582.3510742 0.24 587.5712891 0.16 588.7278442 1.23 589.5670776 0.24 591.3142700 0.20 592.6068115 0.20 595.2083130 0.02 599.1702271 0.22 602.0552368 0.87 608.6548462 0.07 609.8173218 0.13 610.8259888 3.25 612.9146729 0.14 615.6701050 0.02 617.2969360 0.05 618.3008423 0.09 620.0960693 0.43 623.4733887 0.05 624.3123779 0.78 626.2925415 0.03 627.4791870 0.07 628.4083252 0.01 631.6878662 0.24 632.7922363 2.41 633.6351929 0.08 635.3342285 0.10 636.2949219 0.03 637.3320923 0.15 639.6268921 0.17 642.0010376 0.04 643.2132568 0.29 646.3789062 1.32 647.4472046 0.05 648.3265991 0.14 651.0256958 0.04 652.3148804 0.11 652.9308472 0.06 654.2197266 0.71 655.0714722 2.97 658.6833496 0.05 660.5874634 0.16 661.3798218 0.11 664.0124512 0.02 668.4800415 0.89 672.1099243 0.17 676.9255981 3.84 677.7624512 0.08 681.4977417 0.32 684.7762451 0.04 685.9721069 0.22 690.4284668 0.53 692.5507202 0.40 694.2732544 0.29 699.0018921 4.36 699.8855591 0.47 701.5223999 0.07 702.1365356 0.40 707.8322144 0.75 708.5718994 0.13 711.5523682 0.03 712.4652100 0.39 713.5340576 0.04 715.2004395 0.07 715.9960327 0.05 717.3027954 0.05 718.4728394 0.11 721.0581055 7.99 721.9086914 0.73 722.5940552 0.16 724.5076294 0.10 728.0996704 0.20 729.8858032 5.04 730.8764648 0.19 732.2846680 0.22 734.4019165 0.93 736.6585693 0.10 737.8440552 0.46 738.7066650 0.23 739.5194092 0.06 740.4691772 0.03 743.1769409 4.27 744.0227661 0.48 745.1468506 0.23 746.2053833 0.28 748.4232178 0.10 750.3319092 0.54 751.3214722 0.21 751.9530640 5.79 752.8988647 0.14 753.6290894 0.47 754.4260254 0.06 756.0392456 0.98 756.9556274 0.24 760.4648438 0.41 764.0023193 1.38 765.4343872 100.00 766.4847412 0.41 767.7030029 0.19 768.6765747 0.22 771.5315552 0.04 772.5316162 0.33 774.0842285 0.30 781.5502930 0.15 785.7351685 0.02 789.6271973 0.05 794.8452759 0.04 803.6045532 0.12 804.5524292 0.05 807.2958984 0.11 810.5866699 0.45 826.7858887 0.23 834.3095093 0.02 836.1791382 0.24 850.8569336 0.65 859.5163574 0.08 860.9259644 0.23 864.4263306 0.08 871.8661499 0.04 884.8955078 0.37 896.0088501 0.03 897.1041870 0.17 907.7282104 0.07 909.1871948 0.09 910.8712769 0.03 911.6337280 0.05 912.5903320 0.21 913.7034302 0.05 916.7089233 0.27 921.8644409 0.02 932.2986450 0.08 933.0886230 0.11 937.5063477 0.12 938.4724731 0.32 939.4868164 0.05 941.1845093 0.07 947.1335449 0.07 949.5792847 0.04 956.5645142 0.25 957.5151978 0.19 970.6601562 0.27 972.1797485 0.22 983.1508789 0.06 984.4928589 0.04 985.7160034 0.11 992.1326294 0.03 1000.9326170 0.29 1001.7727660 0.05 1002.6886600 0.02 1009.1301880 0.08 1018.2033080 0.21 1019.5056150 0.04 1027.0185550 0.08 1042.9245610 0.06 1044.6004640 0.15 1045.5893550 0.08 1052.0118410 0.12 1062.5455320 0.07 1063.9691160 0.02 1071.3439940 0.18 1074.3845210 0.04 1088.7094730 0.56 1089.7377930 0.24 1106.3923340 0.25 1107.6516110 0.20 1115.3940430 0.40 1116.7375490 0.13 1130.5081790 0.19 1132.6921390 0.25 1133.4929200 0.28 1135.0649410 0.12 1142.7427980 0.05 1150.4647220 1.03 1151.2973630 0.33 1159.2033690 0.56 1160.0203860 0.02 1174.2985840 0.12 1176.5671390 0.58 1177.2924800 0.80 1178.5756840 0.12 1185.3715820 0.04 1194.6047360 1.49 1195.4659420 0.15 1203.3508300 0.70 1204.6210940 0.04 1209.7388920 0.07 1211.3701170 0.07 1219.9638670 0.02 1221.0329590 0.72 1221.7319340 0.40 1222.6994630 0.06 1237.8826900 0.13 1238.5794680 1.11 1239.7363280 0.13 1247.4423830 0.31 1248.6545410 0.06 1259.8726810 0.12 1264.3682860 0.40 1265.5444340 0.83 1266.5482180 0.44 1282.5834960 1.52 1283.7972410 0.38 1291.5731200 0.30 1292.4990230 0.04 1308.6787110 0.22 1309.8188480 0.18 1310.5550540 0.40 1326.4927980 2.30 1327.5469970 0.57 1336.7650150 0.05 1352.4256590 0.13 1353.3729250 0.53 1354.2504880 0.06 1355.4870610 0.08 1370.6052250 1.23 1371.6622310 0.67 1397.8507080 0.33 1414.8863530 0.96 1415.8883060 0.32 1526.8260500 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 784.392 Annotation Unknow Peak:m/z Relative Intensity 235.4079742 0.02 241.0438538 0.03 243.0138092 0.06 246.9546051 0.05 248.2293396 0.03 251.3408508 0.10 255.2049255 0.03 257.2443237 0.06 259.2260742 0.13 261.3475342 0.07 267.2751770 0.02 269.2464600 0.08 271.3508911 0.05 277.0848083 0.06 279.0969849 0.12 281.3162842 0.16 286.1926880 0.08 291.1489258 0.05 295.2366333 0.18 297.3628235 0.30 302.3308105 0.07 303.0473633 0.04 305.2924805 0.02 307.3275146 0.02 309.3493652 0.36 313.1161804 0.18 314.1845093 0.14 315.1531067 0.09 317.6775208 0.05 321.3671875 0.05 323.2307129 0.05 326.0595093 0.11 327.3051758 0.02 328.2276306 0.09 329.2095032 0.24 330.2564087 0.18 330.9635010 0.03 334.6250610 0.05 337.0740356 0.30 341.2911987 0.11 342.3367310 0.03 344.0621948 0.78 345.2355957 0.83 353.1040649 0.08 355.3035889 0.08 356.9611816 0.03 359.1582642 5.21 360.2687378 4.08 361.5388184 0.18 367.1785278 0.02 368.2233276 0.12 369.6206665 0.17 373.2243652 0.12 377.2924805 0.31 379.4619141 0.64 381.5016479 0.03 383.1130371 0.02 385.3987427 0.06 395.1402588 0.37 397.3436279 0.92 399.5802612 0.59 404.5934448 0.14 405.7166748 0.04 411.4020386 0.50 415.2530518 0.19 422.4736938 0.64 425.2403564 0.09 427.4287720 0.10 428.2628174 0.05 429.2826538 0.62 431.4280396 0.26 433.6091309 0.03 437.3910522 0.61 439.1350708 0.06 440.5273438 0.13 443.2220459 0.07 445.5693970 0.23 447.4449463 0.07 449.5155640 0.06 453.1679688 0.11 454.6276245 0.75 455.4721069 1.86 456.4594116 0.36 458.0938110 0.08 465.4768677 0.80 470.8445435 0.16 471.6450806 0.07 472.4024658 0.98 473.4776611 0.94 474.8298950 0.09 477.4981689 0.06 483.2833862 3.24 484.0162964 0.09 487.7478027 0.04 490.7379761 0.06 493.3083496 0.04 500.3377075 16.07 501.3956299 4.77 504.1140137 0.11 507.4532471 0.11 508.2047729 0.04 516.6249390 0.25 518.3875732 78.78 519.3759766 1.89 520.5396729 0.01 525.5988159 0.06 529.2048340 0.03 531.1184082 0.03 536.3186646 100.00 537.0503540 0.12 539.4306030 0.03 546.6726685 0.08 549.9511108 0.03 553.6470337 0.17 560.4523315 2.24 562.4044800 0.05 563.4239502 0.04 564.5083618 2.06 566.4589233 0.15 569.3523560 0.13 575.6419067 0.07 576.4016724 0.04 578.3535156 1.50 579.2471313 0.07 580.3160400 0.03 582.5173340 1.09 584.2196045 0.24 585.7091675 0.10 586.3795776 0.02 587.4457397 0.02 589.1553345 0.02 590.5502930 0.09 599.6859131 0.05 602.1301270 0.14 603.3195190 0.03 604.0740356 0.13 605.3645630 0.09 607.1275024 0.08 608.3839722 2.78 609.6617432 0.12 626.4343262 1.00 629.5336914 0.10 630.3919678 0.07 633.5800171 0.03 634.2809448 0.08 637.6853638 0.03 644.4447632 0.40 645.4916382 0.04 646.6020508 0.09 647.2265015 0.04 649.4922485 0.24 653.0261841 0.09 654.3621216 0.12 659.2688599 0.17 662.3121948 0.30 663.3784790 0.03 664.7052612 0.08 665.8552246 0.14 668.4950562 0.27 676.6193848 0.05 677.2305298 0.16 680.5778198 0.25 681.7712402 0.20 684.5492554 0.03 686.4607544 0.42 694.3435669 0.23 695.2844849 0.23 698.3702393 0.92 702.2269897 0.03 703.3273926 0.45 704.2085571 0.71 704.8972778 0.14 706.5595093 0.08 712.2285767 4.23 713.2166138 0.99 720.4081421 0.12 722.2202759 1.87 722.8411255 0.03 724.0148315 0.04 730.3496704 5.11 731.3775635 0.57 733.5460815 0.03 734.5469360 0.02 737.4880981 0.19 738.5592041 0.19 739.3074341 0.13 740.4044800 1.22 746.3961182 0.24 748.3325806 3.56 749.2872925 0.19 750.8324585 0.22 752.1766968 0.56 754.8726807 0.08 756.2452393 0.12 759.6588135 0.08 760.7554321 0.05 763.7280884 0.37 764.8689575 0.13 766.2594604 26.06 767.2859497 1.12 771.6902466 0.12 783.8760376 0.05 785.1489868 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 807.3421 Annotation Unknow Peak:m/z Relative Intensity 246.0974274 0.03 250.1306305 0.19 263.3741150 0.02 267.1001892 0.09 278.9771729 0.06 283.9283447 0.04 284.9940186 0.03 299.1331787 0.21 300.0227051 0.02 310.9918823 0.21 324.8203735 0.33 325.4332275 0.03 327.1651611 0.06 330.2593079 0.14 341.1597900 0.29 344.1706543 0.07 357.0780029 0.08 363.8292236 0.05 367.9177856 0.14 371.5435181 0.06 372.9869690 0.52 374.1372681 0.03 393.4655762 0.05 398.9965210 0.37 400.0598755 0.05 422.3195801 0.02 442.4000244 0.19 448.2847900 0.09 449.0184937 0.03 449.8772583 0.15 460.4993286 0.19 461.2098999 0.62 462.5269165 0.32 469.1751709 0.12 472.3496704 0.08 474.2910156 0.16 475.1560669 0.09 476.8782349 0.18 480.1726074 0.21 481.3051147 0.40 487.2474365 0.28 490.2835693 1.23 491.3516235 0.28 492.2831421 1.30 493.2852173 0.46 505.1787720 0.13 506.1632080 0.12 519.2639160 0.50 520.2111206 0.08 521.6213379 0.65 522.3423462 1.03 523.5288086 0.18 525.3074341 0.08 569.3005981 0.06 569.9243774 0.03 592.4490967 0.18 594.9173584 0.39 595.5366821 0.37 596.4200439 0.59 608.5130005 0.07 613.2754517 20.34 614.3055420 11.64 615.0057373 0.03 635.3551636 0.03 636.2256470 0.12 640.0073853 0.10 643.1007690 0.05 645.2373047 22.69 646.2658691 9.10 647.0097046 0.04 652.2801514 3.22 653.3226318 1.86 654.4844360 0.23 655.3823242 0.10 673.3618774 0.09 684.1885986 5.98 685.3239136 1.59 686.2103882 0.05 712.1835938 0.06 728.9223022 0.07 729.5339966 0.08 731.3565674 0.48 732.1788940 0.17 735.3010254 0.04 736.5085449 0.08 739.3757935 0.02 740.1727905 0.25 757.2894897 0.78 758.2053223 0.37 758.8097534 0.12 775.2867432 100.00 776.3666382 57.85 779.9567261 0.10 789.6979370 0.20 807.6090698 0.07 808.2974243 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 519.24 Annotation 7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside] Peak:m/z Relative Intensity 148.9122925 0.84 159.0744781 0.27 161.0184937 6.79 163.2041168 0.06 168.9649811 0.08 178.6690674 0.36 187.3731079 0.08 189.2562408 0.26 191.0944366 1.89 206.0798492 0.09 207.2790527 0.25 215.1794434 0.19 220.9255829 0.31 221.9451141 0.08 225.1999817 3.05 231.0874634 0.12 233.1513062 4.79 251.0031891 0.57 265.1853943 0.06 273.2444458 0.15 275.1676636 0.96 282.0732422 0.10 291.1669312 0.11 293.1668091 7.60 294.1533203 0.08 295.1842651 0.13 303.4958496 0.07 311.0776367 0.04 312.3441772 0.23 321.2593994 0.05 325.0739746 0.09 338.1591797 0.20 339.3275146 0.65 342.1468506 0.15 343.0374146 0.47 345.1112061 0.55 354.9860229 0.19 357.0245972 0.11 364.8890381 0.34 369.2148438 0.34 370.4241333 0.70 372.4645996 0.12 373.2136230 0.04 387.2664185 100.00 388.4598389 0.14 393.3287354 0.40 394.2282104 0.20 427.4174194 0.79 429.0713501 0.19 437.6107788 0.16 438.5004272 0.53 447.4404297 0.17 449.7384033 0.08 455.5598755 0.06 458.9794922 0.09 461.4344482 0.21 472.1229858 0.46 473.0667114 0.53 475.3619995 0.45 483.4854126 0.18 486.0269165 0.03 499.4926147 0.10 501.4852295 0.65 502.4244995 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 671.3644 Annotation Unknow Peak:m/z Relative Intensity 233.2053223 0.02 257.2132568 0.04 277.1218567 0.03 284.3292847 0.02 305.3069458 0.03 317.6120300 0.04 323.2117920 0.04 327.4658813 0.03 328.2727661 0.07 329.5360107 0.05 332.6526489 0.03 345.5684814 0.39 346.4447021 0.20 369.2147217 0.03 395.2202759 0.03 413.4283447 0.02 420.4727173 0.10 431.0913696 0.05 432.2289429 0.02 443.0286865 0.01 454.7144775 0.07 457.3936768 0.07 461.3576050 0.04 463.3223877 0.03 465.0521851 0.04 473.6337280 0.01 475.9597778 0.06 477.5229492 0.08 487.0812988 0.11 490.9259033 0.08 491.6877441 0.04 493.4428711 0.67 494.5162354 1.08 495.2940063 0.49 496.9224243 0.06 507.4810181 0.16 508.5938110 0.28 509.5422363 0.87 512.6367798 0.10 515.5314331 0.03 525.1691284 0.19 533.4715576 0.13 548.9883423 0.05 553.0852661 0.03 564.6130981 0.12 566.8060913 0.14 580.1723633 0.09 591.2048950 0.02 607.5286865 0.34 608.5831909 0.24 609.5213013 0.09 610.4660034 0.23 611.1981812 0.19 625.4528198 100.00 626.0933228 0.31 626.8960571 0.11 627.4973755 0.33 635.5353394 0.13 636.5815430 0.02 638.4470825 0.22 639.4543457 0.19 647.2598877 0.10 652.6567993 0.14 653.3839111 0.42 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 372.0932 Annotation DIMBOA-Glc Peak:m/z Relative Intensity 113.0274048 0.70 122.0064850 0.65 125.2116623 0.11 128.0611267 0.04 131.0896301 0.20 136.1416016 0.05 136.9466858 0.14 146.4970093 0.07 151.1380463 0.11 160.9439240 0.12 165.0261536 0.07 168.9447174 0.12 175.0045776 0.52 186.9822388 0.07 191.0163574 0.13 193.0874481 0.18 210.1465149 0.12 223.2281494 0.10 226.9177551 0.13 231.0328674 1.98 234.9271851 0.05 236.2561035 0.07 237.1989441 0.06 238.0303650 0.04 240.1288452 0.09 241.2898560 0.19 242.5628967 0.07 249.1705933 100.00 250.0739441 0.11 251.9663696 0.14 253.1194153 0.04 257.1127319 0.08 265.1026611 0.10 267.9982910 0.15 278.1229248 0.05 278.9981079 0.16 280.0899658 0.34 282.0888367 0.16 287.9545898 0.09 293.0686340 0.08 297.3950806 0.10 298.0534668 0.32 304.2690735 0.05 305.0762939 0.23 307.2155151 0.07 309.7039490 0.12 312.1627808 0.15 325.8574829 0.56 327.1838989 0.05 327.9631958 0.77 329.1340637 0.15 334.0342712 0.09 334.9820557 0.11 337.2316284 0.04 338.2906189 0.05 353.8191528 0.32 354.4582214 0.09 356.4063721 0.08 363.0112000 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1057.4902 Annotation Unknow Peak:m/z Relative Intensity 455.7210083 0.09 523.5667725 0.51 537.2583008 0.07 545.7470703 0.07 549.4632568 0.06 569.6194458 0.04 595.2801514 0.11 613.3879395 0.22 701.5950317 0.22 745.1735229 0.38 763.4615479 4.50 789.7145996 0.07 793.6441650 0.10 819.8604736 0.21 895.4726562 0.75 907.1125488 0.17 925.5443115 100.00 926.3398438 0.08 937.1975098 0.14 981.5291748 5.49 995.2668457 0.17 1013.3508300 0.36 1039.5036620 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 801.1888 Annotation Quercetin 3-(2'''-feruloylsophoroside) Peak:m/z Relative Intensity 222.9920807 0.02 226.0308228 0.01 242.6455231 0.06 270.9333191 0.11 286.1265259 0.03 287.2060547 0.14 288.2382202 0.01 310.3871765 0.02 313.0943604 0.05 316.0526733 0.69 329.2531128 0.12 331.0475464 2.30 343.3221436 0.03 344.1206055 0.04 345.1742859 0.32 367.2897339 0.02 369.4733887 0.08 387.4356079 0.04 416.2874146 0.04 440.1787109 0.02 461.4793091 0.02 462.5503540 0.02 469.3192749 0.05 488.2042236 0.09 519.2623901 0.06 551.8939209 0.04 563.1623535 0.04 573.7206421 0.01 607.7605591 0.01 611.3909912 0.02 618.9677124 0.02 621.4000244 1.64 623.0266724 0.11 624.2310791 0.07 625.3255005 0.07 626.2689819 0.06 637.2225342 3.15 639.4576416 0.03 640.2921143 0.03 645.4119873 0.02 651.1646118 0.16 655.2431030 100.00 655.8754272 0.48 657.1736450 0.06 662.1965942 0.01 669.2177124 0.13 679.6547241 0.02 706.3956909 0.01 721.3964233 0.06 725.3148804 0.02 741.4219360 0.02 771.3898315 0.02 778.7336426 0.04 782.6649170 0.15 783.5541382 0.16 785.1281738 0.02 786.2238770 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1333.5338 Annotation Unknow Peak:m/z Relative Intensity 425.3862000 0.10 439.3442383 0.47 441.2597046 0.16 586.3134766 0.04 597.5205688 0.27 673.4859619 0.11 677.4586792 0.20 789.5103149 0.12 794.1982422 0.04 893.6494141 0.15 894.4854736 0.07 938.5012207 0.23 939.6636963 0.18 951.7197266 0.27 953.5018311 0.04 956.6420898 0.34 980.1628418 1.05 984.6188965 0.09 997.6693115 3.90 998.6048584 17.47 999.6748047 1.63 1016.6865230 0.04 1026.3272710 0.52 1040.4768070 0.15 1052.7431640 0.09 1054.7911380 0.28 1056.4746090 0.03 1066.6109620 0.03 1082.9667970 0.04 1094.6470950 0.28 1095.6645510 0.22 1096.4963380 0.08 1111.8526610 1.25 1112.5402830 4.71 1113.4860840 0.81 1133.4011230 0.09 1138.5224610 0.08 1141.0072020 0.26 1152.4416500 0.76 1155.5998540 1.06 1156.6309810 4.20 1157.5360110 0.79 1169.6427000 0.21 1170.6158450 6.35 1171.7060550 0.13 1173.9355470 16.00 1174.5748290 42.58 1175.6037600 5.09 1186.7784420 0.06 1198.5522460 0.03 1202.8023680 0.32 1210.5048830 0.08 1214.4584960 24.90 1215.6375730 3.31 1229.5924070 0.15 1230.4775390 3.67 1231.8947750 8.46 1232.5445560 35.99 1233.4924320 4.14 1234.1907960 0.05 1244.5192870 0.22 1246.4248050 0.44 1247.0618900 0.04 1258.3967290 0.51 1262.3675540 1.03 1263.2106930 0.12 1272.5355220 3.55 1274.0668950 2.34 1275.2827150 6.59 1276.2641600 0.55 1288.8580320 0.77 1290.4599610 100.00 1291.5903320 7.39 1298.3520510 0.39 1307.0246580 0.12 1316.3674320 14.52 1317.3942870 2.46 1317.9997560 0.73 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 579.1565 Annotation Unknow Peak:m/z Relative Intensity 166.9725037 0.80 170.7660522 0.09 198.8496857 0.09 209.2347412 0.13 227.2053833 0.36 241.2449188 0.59 249.1652527 2.43 254.2872925 0.26 267.1495361 0.45 276.0419312 0.06 280.9562988 0.11 292.3948975 0.04 293.2600098 0.05 297.0276184 0.17 314.5646973 0.12 323.2153931 0.31 326.7420044 0.17 338.2335815 0.11 341.4098511 0.19 355.0083618 0.13 356.2578735 0.16 357.3888550 0.16 363.0989380 0.17 364.3052368 0.19 379.2051392 0.07 381.2687988 0.39 385.2854004 2.36 399.2049561 9.77 403.1539307 0.11 414.1240845 0.29 417.1810913 100.00 421.1144409 0.07 422.2990723 0.09 432.2160645 0.19 437.5750732 0.13 441.2943115 0.23 445.0287476 0.28 447.4512329 0.11 456.2728271 0.04 457.3109741 0.12 459.1046143 1.10 463.4030151 0.11 470.4492798 0.04 489.1860352 0.72 491.2105103 0.15 493.0648804 0.05 508.0175781 0.08 511.9788208 0.26 519.0689087 0.27 532.3438110 0.50 533.2460938 0.30 537.5172729 0.13 540.9180298 0.03 543.1894531 0.26 560.8961792 1.12 561.6315918 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 447.1872 Annotation Unknow Peak:m/z Relative Intensity 143.0079041 0.06 145.1062012 0.03 148.7788696 0.06 162.0569916 0.12 179.1290894 0.77 190.8301392 0.13 203.0665588 0.38 210.2887878 0.19 218.9076843 0.09 221.1874084 0.29 239.1421204 0.18 241.3094482 0.08 248.8890991 0.08 251.9070435 0.14 253.4266968 0.16 255.2812805 0.10 256.2832947 0.08 259.3183899 0.12 266.8613281 0.05 279.7484436 0.11 285.5544739 0.09 293.2597961 0.09 299.1436462 0.46 300.2285461 0.40 306.3206787 0.16 311.8471375 0.05 323.1763306 0.13 325.4621582 0.20 327.1494446 0.20 331.7799377 0.25 341.0145874 0.30 343.1793518 40.88 351.4332886 0.18 359.2309570 0.15 360.2896423 0.07 365.3860474 0.60 367.4723206 0.04 374.4202271 0.03 375.4103088 0.12 376.2408142 0.13 383.2961426 3.77 384.1638794 0.11 388.6101990 0.07 393.7651062 0.24 394.4060364 0.12 401.1014709 100.00 401.8075256 0.34 403.4068298 0.32 404.5654602 0.22 405.3020935 0.16 410.0512695 0.19 411.3440857 0.72 412.3705444 0.22 413.0824280 0.24 417.3772278 0.45 428.8450623 0.32 429.4819031 0.12 430.2353821 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 763.28 Annotation Unknow Peak:m/z Relative Intensity 214.7753754 0.04 219.2016449 0.04 264.9212952 0.04 269.4674072 0.17 307.1862183 0.17 319.2296753 0.47 328.5541992 0.08 339.4523926 0.24 349.1570129 0.09 352.4249878 0.09 357.0279541 0.11 357.6662598 0.02 369.2617188 0.39 370.3729858 0.15 384.9797363 0.13 407.6120605 0.11 411.2226562 0.05 432.1766357 0.07 441.4164429 0.12 451.3399048 0.15 452.3746338 0.16 453.2297363 0.26 465.2553101 0.17 478.3449097 0.08 479.3867798 0.32 492.3549194 0.08 494.1694946 0.08 498.6676025 0.07 502.3373413 0.08 505.9432983 0.06 515.2852783 0.14 520.3709717 0.40 522.4182129 0.18 524.1339111 0.83 532.3340454 0.30 534.2999878 0.15 538.0875854 0.09 550.4724121 0.24 553.2389526 0.09 557.2309570 0.42 562.3790283 1.09 564.2070923 1.33 568.1781616 0.10 569.2995605 0.12 576.2655640 0.96 578.3336792 2.81 580.1077271 0.26 581.5980225 0.26 586.3999023 1.03 587.2192993 0.37 590.2626953 0.46 592.2295532 0.28 594.2099609 0.41 598.7201538 0.25 600.3795776 2.54 601.4238892 1.31 606.3161011 14.88 608.2575684 100.00 609.0109863 0.52 611.3147583 0.06 615.5974731 0.65 616.2024536 0.10 621.0693359 0.42 623.4877930 0.44 624.2854614 4.80 627.4431152 1.09 628.2246704 0.13 640.2433472 0.36 641.2915649 1.42 644.8243408 0.06 654.7877808 0.07 658.4221802 0.32 659.4336548 0.94 665.4542847 0.19 669.3952026 0.04 672.1522217 0.10 677.2234497 1.45 681.5514526 0.30 683.1314697 0.10 687.4075317 0.94 689.0072632 0.09 699.7243042 0.09 701.1804810 0.63 702.1508789 0.18 703.3135376 0.91 708.7196045 0.17 712.4464111 0.37 713.2641602 2.17 713.9594727 0.12 718.6343384 0.27 719.3699341 0.96 726.9327393 2.15 727.6098022 2.31 730.7273560 7.96 731.3923950 23.12 735.0931396 0.05 738.1679077 0.04 740.5536499 0.21 742.1950073 0.08 744.5794678 4.15 745.2888794 17.33 746.4940796 0.83 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 769.2448 Annotation Unknow Peak:m/z Relative Intensity 255.9255219 0.19 265.2659302 0.29 303.0532227 0.08 309.2636108 1.72 310.3896484 0.98 312.2150879 0.06 327.0129700 0.63 331.2398682 0.26 336.8048096 0.38 353.2857056 0.10 356.1131592 0.24 361.1214905 0.34 371.3013916 0.87 376.4626465 0.13 407.0487671 0.30 423.4472046 0.13 437.2687988 0.43 457.6043091 0.09 467.1869507 0.08 474.8863525 0.36 481.3764648 0.14 521.4825439 0.09 602.1267090 0.14 603.1350708 0.59 607.3612671 0.10 614.0447388 0.52 621.2102661 0.10 622.3530884 0.33 623.2916870 0.09 633.1008911 0.49 635.5421753 0.25 646.3293457 0.17 649.4859009 0.74 650.5157471 0.15 651.4995728 1.01 664.2514038 0.44 665.3202515 3.68 669.4368286 0.19 675.1862183 0.16 677.8944092 0.56 683.4080200 10.82 685.4000854 0.55 693.3051147 17.42 709.3345337 0.47 715.7354126 0.05 719.3372803 0.87 723.0892334 0.70 725.3587646 59.79 732.7131958 0.49 737.2993774 100.00 750.1823120 0.13 751.3368530 2.42 753.0145264 0.42 754.0681763 0.38 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 947.2443 Annotation Kaempferol 3,4'-diglucoside 7-(2-feruloylglucoside) Peak:m/z Relative Intensity 273.0198364 0.16 284.1950073 0.09 286.1582947 0.02 287.1166382 0.24 288.0679932 0.10 289.2732849 0.06 294.4424438 0.06 299.2168579 0.06 301.0953979 0.23 302.1862488 0.40 303.1701050 0.07 311.3831177 0.05 312.1713257 0.04 314.0656738 0.04 315.1670532 0.29 317.0711060 0.34 318.1056519 0.19 319.0984192 0.04 321.3768311 0.03 325.2456360 0.10 327.9588013 0.03 329.1256104 0.17 330.1728516 0.72 331.1399231 0.41 332.1730652 0.08 337.1345215 0.03 341.2604065 0.04 343.1994019 0.07 344.2229309 0.33 345.1894531 1.93 346.2546387 0.49 347.0705872 0.23 351.2326050 0.03 352.3041382 0.04 354.2586670 0.07 355.2608948 0.13 357.0779419 0.08 358.2777405 0.03 362.3659668 0.02 369.2859497 0.08 373.4862366 0.05 383.0610046 0.03 386.3443909 0.03 387.1490479 0.25 398.4519348 0.06 400.4962158 0.03 409.3376465 0.04 413.2581177 0.02 420.4262695 0.04 430.4151001 0.09 438.5366821 0.05 440.0016479 0.05 445.0557861 0.09 451.6764526 0.02 453.2849121 0.04 454.4609985 0.11 455.7495728 0.07 459.4145508 0.03 469.1803589 0.11 470.3950806 0.23 471.4692383 0.04 473.7303467 0.03 477.2572632 0.14 482.4380493 0.04 483.5017700 0.03 484.2870483 0.05 489.2994995 0.03 492.2098999 0.04 501.8861694 0.10 506.0711670 0.06 519.2256470 0.04 521.2196655 0.02 531.3663940 0.09 532.4729004 0.01 533.8909912 0.16 539.4970703 0.01 546.9491577 0.08 562.1369629 0.03 574.9348755 0.06 601.4051514 0.45 602.3441772 0.49 603.1259155 0.13 604.7108154 0.12 611.4326782 0.11 620.4711914 0.07 621.5647583 0.02 625.8526611 0.04 631.3542480 0.05 632.4229126 0.03 633.3790283 0.17 634.3513184 0.42 635.3634644 0.07 637.8745728 0.08 639.2828979 0.13 640.3974609 0.24 641.3364868 0.06 651.3326416 0.23 652.3270874 0.98 653.1166382 0.08 653.7410889 0.05 659.4799194 0.04 669.3809204 0.25 670.3898926 0.93 671.3286133 0.16 684.1664429 0.04 694.6519775 0.06 726.1217041 0.07 752.2265015 0.07 753.0707397 0.09 755.2020874 0.07 758.4512329 0.04 765.8771362 0.13 768.4478149 0.10 769.4237671 0.43 770.4225464 1.43 771.2158813 0.34 772.3058472 0.04 773.5249634 0.03 783.4229736 6.77 784.3294067 22.14 785.3141479 6.74 786.0868530 0.05 787.3101196 0.25 788.3154907 0.09 797.0668945 0.04 798.2266235 0.60 799.2952271 0.16 801.3353882 27.86 802.2922974 100.00 803.3046265 28.68 803.9370728 0.29 810.2932129 0.12 814.8983765 0.03 816.2516479 0.93 817.3312378 0.28 825.2073364 0.01 827.1156616 0.18 828.3222656 0.64 829.4833374 0.19 857.5703735 0.10 905.8353271 0.08 913.6267090 0.02 915.9259033 0.30 916.6013794 0.92 917.4806519 0.24 918.3297729 0.10 931.4887695 0.16 933.1765747 0.40 934.3044434 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 895.3787 Annotation Unknow Peak:m/z Relative Intensity 261.1903992 2.03 262.8317566 0.14 284.2315979 0.13 288.2826233 0.07 306.4762573 0.21 310.3582153 0.07 313.2821045 0.10 315.0407715 0.32 324.1606750 0.06 330.3217773 0.06 360.0372009 1.15 361.4830627 0.14 402.3928833 0.04 407.3017578 0.16 418.3754272 0.34 426.3106079 0.20 431.2507935 0.10 442.1491699 0.16 444.1898193 0.17 445.5493774 0.12 449.3726196 0.44 451.9318848 0.20 463.4500732 2.65 464.3493652 0.14 478.3357544 0.31 493.5084229 0.05 494.2270508 0.37 539.2695923 0.36 544.3027954 0.19 545.4506836 0.49 556.3805542 0.35 562.4260864 1.68 563.4569702 0.30 568.1206665 0.20 580.9444580 0.09 589.1942749 0.21 590.2992554 0.44 601.8600464 0.53 609.7865601 0.55 627.2162476 0.10 640.9753418 0.73 643.4511108 0.12 644.5066528 0.37 652.2102661 0.38 653.4304810 0.12 672.2837524 0.13 677.6210327 0.21 694.8102417 0.07 697.1732178 0.38 698.6509399 0.31 743.7062378 0.24 747.2405396 0.68 765.8124390 0.33 770.4185181 0.24 774.0631714 0.27 776.0626831 0.35 786.1312256 1.93 787.5905151 0.39 790.2141724 0.10 803.0658569 0.60 803.8042603 0.76 806.9673462 0.99 808.6475830 0.78 809.6801758 0.59 812.8649292 1.17 815.7155151 0.14 817.5847778 0.31 818.6093140 0.69 822.3319702 0.92 824.5806274 1.35 826.5604858 2.63 828.1631470 2.60 830.8082275 6.80 831.6437378 0.49 832.2583618 0.33 834.9595947 2.58 836.5591431 0.73 839.1292114 0.85 840.0598145 0.90 840.8088379 0.24 841.6953735 0.35 846.2178345 0.16 847.5700073 1.36 848.9570923 0.97 850.9707031 0.37 854.0268555 0.36 855.2863159 2.18 856.7113647 1.46 857.7271118 0.55 858.5267944 0.08 859.3367310 1.72 859.9711304 2.81 861.1566162 0.99 861.8536377 0.76 863.0366211 7.77 863.9555664 4.00 864.6693726 0.65 865.6030884 0.18 867.3233643 10.05 868.2500610 1.74 869.3171387 2.09 870.0283813 0.78 871.6839600 1.26 872.9376831 1.02 874.5780029 0.89 876.0496216 1.26 877.5082397 0.07 880.0072021 5.24 880.7529907 1.44 882.3377686 7.59 884.1396484 10.49 884.8633423 6.00 886.4694824 1.03 887.7269897 0.26 892.5753784 0.09 893.8522949 0.27 914.3529663 0.61 927.7168579 0.54 932.7699585 0.74 934.6574707 0.18 939.3974609 0.37 944.2326660 0.75 947.0444336 1.10 947.9462280 0.37 948.8203125 0.71 950.3021851 0.84 951.3451538 0.47 956.8249512 0.61 959.2942505 0.41 963.2687378 0.36 966.7075195 1.20 968.5251465 0.83 969.2662964 0.77 971.1005859 0.59 972.0575562 0.27 974.5278320 0.23 975.7246094 1.33 976.6403198 0.69 979.5037231 0.62 985.3178711 0.86 987.4341431 0.95 991.2558594 2.26 991.8735352 0.71 992.5842285 0.76 993.3681641 0.70 994.5711060 1.81 995.3459473 0.79 996.7557983 2.96 997.9038696 0.27 998.8848267 0.19 1000.8892210 1.95 1001.8261110 1.37 1002.6943970 2.48 1003.5615230 0.72 1007.3872680 1.39 1008.8669430 0.52 1009.5454100 0.25 1010.3217160 0.11 1011.3922730 0.53 1014.6527710 0.89 1016.4110720 0.90 1017.9140010 0.85 1018.8610230 1.28 1019.9596560 0.39 1021.2230830 0.62 1022.3587040 1.73 1023.7956540 1.07 1024.9509280 3.29 1025.9410400 3.41 1026.6109620 0.35 1027.5592040 1.89 1028.4941410 0.16 1030.1962890 4.20 1031.0710450 1.82 1031.7327880 1.50 1034.2333980 1.62 1034.8708500 0.80 1035.8198240 1.81 1036.5100100 0.21 1037.3916020 0.14 1039.0538330 2.99 1040.3061520 1.26 1041.2447510 0.42 1043.7551270 0.85 1044.7192380 1.77 1045.8886720 1.33 1047.9158940 0.92 1050.4526370 0.32 1052.6972660 1.78 1053.5317380 3.14 1055.5075680 0.82 1058.5979000 2.76 1059.4233400 3.37 1060.2172850 1.60 1062.7797850 3.11 1063.4562990 2.04 1064.4489750 2.93 1065.6450200 0.58 1067.0363770 0.49 1068.0500490 8.60 1068.9261470 13.22 1069.7319340 1.44 1070.3977050 1.43 1071.1004640 0.36 1072.3388670 1.86 1072.9720460 1.10 1074.1308590 26.44 1074.7476810 20.98 1075.3752440 6.44 1076.4482420 0.18 1077.7800290 2.01 1078.9323730 1.95 1081.2084960 0.36 1084.0324710 0.51 1084.6711430 0.19 1085.7425540 0.20 1086.4749760 0.17 1088.3984380 0.97 1089.4770510 0.47 1091.3227540 1.65 1092.4448240 1.60 1093.2502440 0.92 1095.0594480 2.43 1095.9060060 3.37 1096.8364260 4.16 1097.6650390 1.83 1100.4165040 2.66 1101.0170900 12.41 1101.7882080 20.28 1103.0859380 1.44 1104.3308110 1.39 1105.3057860 1.97 1107.2590330 100.00 1107.9816890 37.50 1109.3706050 2.82 1112.0097660 10.23 1112.8225100 2.87 1113.7236330 1.59 1117.5332030 6.03 1118.3658450 12.05 1119.5820310 0.37 1122.1721190 0.47 1124.9455570 0.18 1126.6267090 1.04 1127.7965090 1.51 1129.6667480 0.04 1130.4252930 0.08 1132.3884280 0.92 1133.3901370 3.08 1134.2601320 1.23 1136.2415770 3.74 1137.1018070 0.81 1138.4890140 0.73 1139.3653560 7.08 1140.0697020 2.60 1141.1031490 0.13 1142.7419430 3.13 1143.7536620 0.45 1144.9370120 8.72 1145.8786620 9.31 1146.9348140 1.99 1148.4428710 1.26 1149.7219240 3.82 1150.6094970 22.28 1151.3608400 3.14 1152.3417970 0.61 1154.2906490 0.29 1156.1423340 18.57 1156.9173580 12.49 1157.7562260 1.21 1158.9956050 0.49 1160.7446290 1.99 1161.8255620 1.25 1163.2864990 0.07 1164.4968260 0.67 1165.7819820 0.84 1168.4226070 0.64 1175.5673830 0.29 1181.9704590 0.31 1191.3537600 0.29 1193.1447750 0.24 1196.5412600 0.86 1198.1118160 0.26 1199.3278810 0.31 1204.5396730 0.43 1218.4438480 0.93 1222.0039060 1.36 1232.9750980 0.34 1241.1895750 0.77 1246.8542480 0.97 1250.1030270 0.21 1254.9124760 0.14 1255.7385250 0.78 1258.1251220 0.27 1258.7333980 0.20 1262.4125980 0.81 1263.4049070 0.58 1267.7170410 0.62 1269.6802980 0.08 1279.2233890 0.83 1281.4875490 0.55 1284.9754640 0.53 1288.4864500 0.31 1298.1917720 0.51 1307.7750240 0.39 1313.6854250 0.57 1315.1297610 1.06 1315.7373050 0.30 1320.4969480 0.76 1326.9848630 0.21 1331.0616460 0.31 1336.0037840 1.24 1339.0991210 0.18 1341.0434570 0.49 1347.3261720 0.34 1355.6474610 0.22 1366.3964840 0.61 1367.0086670 0.43 1370.8508300 0.51 1371.6990970 0.07 1372.7777100 0.79 1374.1102290 1.10 1374.7745360 0.47 1379.4957280 2.31 1380.9642330 0.66 1384.5968020 0.26 1385.4761960 0.34 1389.9332280 0.98 1393.3917240 0.54 1395.0809330 0.41 1397.2198490 0.25 1402.1015620 0.77 1403.5258790 0.10 1406.9083250 0.61 1410.0280760 0.42 1412.4439700 0.37 1413.8453370 0.14 1418.1153560 0.15 1421.2222900 0.48 1427.1448970 0.26 1427.7608640 0.31 1434.3739010 1.25 1435.4891360 0.59 1437.3873290 1.71 1439.7902830 1.07 1441.6158450 0.51 1443.6820070 0.61 1444.8907470 0.32 1449.0227050 0.18 1456.9404300 0.85 1461.3830570 0.30 1462.0638430 0.38 1464.8724370 0.07 1468.6165770 0.32 1469.4616700 0.73 1471.3890380 0.48 1472.3573000 0.25 1473.7608640 0.38 1476.7210690 2.22 1477.8190920 1.07 1478.5312500 0.16 1482.6907960 0.21 1486.2572020 1.19 1487.3797610 0.60 1490.6412350 0.82 1491.3614500 0.30 1492.1727290 0.49 1495.0604250 0.29 1496.1597900 0.32 1497.1429440 0.31 1500.1263430 0.54 1500.9550780 0.52 1503.3364260 7.38 1504.1517330 1.39 1504.9095460 1.60 1506.2258300 0.20 1511.1655270 0.38 1515.0620120 0.94 1531.3500980 0.49 1536.4483640 0.63 1545.7518310 0.26 1547.0338130 2.37 1550.7816160 0.61 1554.9105220 1.29 1557.3657230 0.60 1568.4910890 0.96 1569.8508300 0.57 1587.3688960 0.77 1589.0421140 0.22 1596.6759030 0.05 1599.4774170 0.34 1604.1839600 0.18 1610.8736570 0.36 1620.5010990 0.68 1644.9036870 0.18 1659.1302490 0.06 1675.3000490 0.74 1756.3488770 0.34 1768.3104250 0.19 1777.8018800 0.11 1781.5930180 0.25 1794.8775630 0.12 1804.1795650 0.05 1809.6783450 0.15 1827.2762450 0.22 1918.8375240 0.23 1926.6760250 0.39 1946.1361080 0.22 1952.2799070 0.21 1973.9110110 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 801.39 Annotation Unknow Peak:m/z Relative Intensity 293.4976807 0.45 303.2833862 1.14 311.4497070 0.14 313.8310242 0.18 317.4952393 0.82 329.2802734 1.65 331.5336304 0.19 337.3505249 0.37 347.4266968 0.38 371.3817139 0.48 386.4521484 0.57 387.4085693 0.68 393.3293457 0.80 399.2199707 0.39 409.2573853 1.48 415.3888550 0.98 417.4820557 0.75 418.8891602 0.39 427.3188477 0.45 428.6094360 0.46 441.3833008 0.17 445.5154419 1.35 452.1480713 0.35 453.8452148 0.35 459.5094604 0.12 462.2110596 1.37 463.2361450 1.18 467.2982178 1.55 473.4135132 1.10 477.5393066 0.66 485.4317017 0.33 491.1298218 0.32 495.4187622 0.20 497.4287109 0.22 503.6793213 0.19 509.3738403 0.71 511.5610962 0.54 515.7903442 1.45 518.5584717 0.31 521.4156494 0.71 523.4432983 0.11 527.4373779 0.48 531.6657715 0.40 533.4256592 11.50 535.3577881 1.46 539.4474487 0.31 545.5934448 2.07 551.4934692 5.22 553.3234253 0.52 554.1956787 0.82 558.7352905 1.01 561.6257324 0.65 563.2930908 0.84 571.5391846 13.38 575.5960083 0.14 577.4362793 0.36 589.5736694 28.61 595.4393311 0.57 601.7042847 1.56 607.4465942 42.05 608.3434448 1.07 609.5422974 0.63 613.3590088 1.81 620.4244385 0.79 621.6428833 0.95 623.6143188 1.03 625.4596558 90.05 628.4207764 1.38 629.3057861 0.33 631.4621582 0.53 638.5529175 0.52 639.5276489 1.72 641.4546509 0.33 647.4044189 10.08 649.4650879 1.11 655.4100952 0.25 656.5769653 2.31 659.5044556 0.37 663.5126953 0.76 665.3552246 5.82 666.0163574 0.15 667.6542358 0.77 670.3175049 0.27 671.6558838 0.31 673.4439087 3.99 677.4829712 0.59 681.5478516 0.32 683.6898804 0.76 685.2575073 2.44 686.8184204 0.20 695.4682007 1.36 701.7860718 0.13 703.4190063 8.05 708.0682983 0.43 709.7556763 0.12 711.2348022 0.24 713.6478271 0.29 721.4710693 19.95 725.4935913 0.52 727.4597778 0.25 737.6351929 0.78 739.6105347 37.21 741.3266602 8.21 753.0491333 0.90 755.4303589 11.22 757.5319824 11.65 765.4445190 6.25 766.6685181 1.01 769.1885376 0.14 770.5481567 0.90 783.4742432 100.00 784.3836060 2.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0854 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 80.66773987 0.79 83.0844574 0.29 84.86360168 0.51 92.91113281 0.30 93.88208008 0.19 95.72137451 0.56 97.07278442 0.28 98.77130127 0.22 103.9832153 1.64 107.1630249 0.46 108.0457001 1.13 109.8691406 1.88 117.9706268 0.29 119.1085205 0.83 123.1078949 0.36 123.999527 0.69 124.9783325 0.70 125.9104462 0.49 129.106842 2.22 130.1227875 2.54 131.9283752 0.27 133.1289673 1.14 133.9750977 0.31 135.4202881 0.36 136.0497437 0.17 137.1802979 0.46 140.8916168 1.52 146.0972748 2.12 148.1623688 1.42 151.0270844 30.80 151.9435272 35.48 153.0107269 1.57 154.0324707 0.19 155.3530884 0.45 156.188797 0.37 159.9747467 0.78 160.9473419 1.51 165.1194305 0.28 166.2510986 0.66 168.0933685 1.95 169.035202 0.51 173.0359802 0.78 176.0406342 2.15 179.1875763 0.41 180.0540314 2.68 181.2219849 0.56 182.1335144 0.69 183.1828156 1.49 184.1736603 1.48 185.3199615 0.74 186.1261444 2.61 192.0924988 1.49 194.1027985 2.06 195.1843567 1.14 196.1837921 0.47 198.0354767 2.09 199.0476837 0.44 200.1379242 0.67 205.997879 1.71 208.2089386 1.07 211.0056915 0.80 212.1624298 5.87 213.0955505 1.29 218.0247955 3.21 219.3275452 1.14 222.2176514 0.57 222.9208221 0.53 224.0055084 0.59 225.4944153 1.46 226.1624298 13.38 232.3101349 0.70 235.5765533 4.13 236.2687531 15.45 237.2538605 1.63 238.0830688 2.14 239.0224457 6.72 244.6346588 2.45 253.0925293 100.00 254.1058197 69.69 255.0200958 1.62 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1199.3691 Annotation 2,3-Dihydro-9-hydroxy-2-[1-(6-feruloyl)-beta-D-glucosyloxy-1-methylethyl]-7H-furo[3,2-g][1]benzopyran-7-one Peak:m/z Relative Intensity 331.2248840 0.02 373.2149963 0.38 382.5672913 0.08 438.9772949 0.05 455.5515747 0.03 505.0929871 0.04 555.4907227 0.04 556.2297363 0.09 573.3484497 0.05 605.5716553 0.04 622.0300293 0.04 625.2280273 0.24 637.3398438 0.29 655.2747803 0.52 656.3001709 0.32 687.3105469 0.17 688.3051147 0.16 705.1892090 0.18 706.6153564 0.05 715.4920044 0.18 735.3428345 0.35 737.2902832 0.10 769.3343506 2.75 770.4607544 0.60 773.2864990 0.03 787.3018799 71.23 788.2476196 21.52 788.9334717 0.15 809.1652832 0.08 825.3718872 0.07 829.1209717 0.04 831.4573975 0.04 843.4855957 0.31 844.3038330 0.09 867.3482666 0.24 868.2458496 0.13 886.5264893 0.39 887.3935547 1.96 888.4901123 0.75 905.3286133 0.34 906.6311035 0.17 949.4500732 0.12 950.3225098 0.17 974.7998047 2.48 975.4187012 20.14 976.3427734 8.32 978.4711914 0.04 1001.2971190 1.89 1002.5429690 0.47 1005.4025880 0.03 1019.3238530 100.00 1020.3664550 33.68 1037.4051510 0.16 1038.3642580 0.28 1060.7756350 0.12 1067.3151860 6.20 1068.3039550 2.12 1181.5285640 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 588.9 Annotation Unknow Peak:m/z Relative Intensity 202.1186523 0.06 203.0261383 0.17 245.0325165 0.17 273.1002197 2.54 273.9464111 0.10 275.1256409 0.48 358.2585449 0.13 359.0364380 0.07 387.2326050 0.24 388.0592651 0.24 389.3322144 0.15 390.7824707 0.11 427.2131348 1.69 428.1858521 1.40 429.0960083 2.32 431.1637573 0.56 433.1370239 0.30 456.1379395 0.18 473.7480469 3.23 475.0066528 5.50 475.6281128 0.05 500.6195679 0.05 502.1055908 0.11 505.0634766 0.05 513.7850952 0.11 530.0933228 0.23 531.2877197 0.14 541.8693237 82.37 542.9115601 100.00 543.9075317 0.12 544.9542847 0.58 547.9909058 0.15 571.1124878 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0713 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 98.98442078 3.59 100.9533386 3.20 110.0481262 2.47 149.0757141 0.78 160.8761749 5.33 162.9999695 0.73 166.6443634 3.75 169.3188782 1.30 174.0738373 3.43 174.9906464 1.30 181.2988739 2.01 183.3087006 7.90 185.2827301 3.20 189.0736694 2.93 194.2840881 2.38 195.2714691 1.85 197.1757355 2.50 203.2976227 0.93 205.1585083 2.14 207.1877289 21.49 208.0606842 2.09 209.2616882 16.89 210.1496277 2.32 215.070816 12.82 222.0820465 7.30 223.1748199 15.04 230.9048615 1.88 233.2925262 15.88 234.0251465 1.59 236.2439117 1.66 251.0648346 100.00 252.2498322 12.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 400.82 Annotation Unknow Peak:m/z Relative Intensity 180.7789001 0.05 229.3503113 0.07 232.9154358 0.06 271.1602783 0.10 282.9116211 0.08 287.5941772 0.01 298.9513245 0.58 302.3544922 0.03 303.2952576 0.42 308.9131165 0.80 311.8028259 0.03 316.8689575 5.41 336.9645691 9.12 338.4988098 0.02 354.7912903 100.00 355.6380005 0.21 382.8815308 19.71 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1213.3813 Annotation Unknow Peak:m/z Relative Intensity 344.3394470 0.04 345.1720276 1.40 380.8049316 0.03 387.1282349 0.07 423.4929810 0.07 447.2887268 0.05 453.2409668 0.28 455.4098511 0.30 490.9550171 0.32 510.9967651 0.04 519.1822510 0.02 537.2025146 0.05 555.2362061 0.38 621.3013916 0.21 651.5541382 0.11 669.6019287 0.02 687.3089600 1.29 735.4947510 0.14 769.2263184 0.22 783.2503052 2.78 787.3427734 1.77 801.2180176 64.89 802.0065918 0.18 807.0745850 0.06 839.2611084 0.06 857.2784424 0.38 867.4160156 0.56 883.2993164 0.15 901.5386963 0.13 919.2921143 0.44 943.4628906 0.03 963.4628906 0.13 971.2015381 0.16 973.3532715 0.04 974.2908936 0.05 984.5262451 0.04 989.3188477 90.17 990.0084229 0.10 1001.4086910 0.25 1015.3103030 1.23 1033.2780760 100.00 1034.0081790 0.14 1051.4061280 0.28 1074.8618160 0.08 1081.1247560 0.13 1124.0963130 0.11 1150.3386230 0.03 1153.4871830 0.05 1168.3369140 0.21 1194.2919920 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 675.2877 Annotation Unknow Peak:m/z Relative Intensity 238.8490448 0.08 277.5451660 0.11 319.1770325 0.15 327.3496704 0.11 331.8877563 0.06 345.9672241 0.04 373.2424927 0.08 377.5724487 0.16 404.3063354 0.05 440.8004150 0.42 446.3437500 0.30 458.4627075 0.19 501.0265503 0.31 502.2701416 0.20 523.3601074 0.10 524.3171997 0.07 534.3535156 1.75 547.5952759 0.09 554.6290894 0.08 557.3087158 0.04 571.3549194 0.12 598.2343750 0.64 599.4378662 1.88 604.4555054 0.30 609.5863647 0.86 613.5564575 0.04 615.6571655 0.10 617.1240845 0.15 622.2847900 1.60 625.4241333 0.35 630.1629639 0.14 631.3728638 1.55 639.3736572 0.12 642.2728271 0.83 643.2619019 2.80 643.8650513 0.22 652.3045044 100.00 653.2844238 0.57 654.1134033 0.13 657.2743530 1.13 809.5136108 0.19 811.5028687 0.08 938.1376953 0.28 981.7238770 0.18 982.6845703 0.05 1073.4218750 0.11 1083.5708010 0.05 1088.5568850 0.18 1143.5411380 0.10 1202.6705320 0.09 1245.1307370 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 521.1856 Annotation Asystasioside C Peak:m/z Relative Intensity 147.1086121 0.25 148.9929810 0.11 162.1150513 0.08 163.1277161 0.13 164.8518524 0.06 175.1657867 0.02 177.0566864 2.10 178.0552979 0.16 190.9304504 0.54 195.1580048 0.03 206.0991516 0.06 208.8890991 0.25 221.1398163 0.96 222.1954346 0.01 223.0706177 0.02 227.2038269 0.06 231.3360596 0.05 233.3538666 0.02 234.4286194 0.27 235.0403900 0.45 236.1514130 0.11 239.2266235 0.08 241.0962219 0.02 243.2041016 0.07 253.0905151 0.78 254.2736511 0.29 255.1244049 0.06 261.1328735 0.06 265.1102295 0.19 266.3067627 0.04 268.2669067 0.04 270.3758545 0.32 271.0703430 0.02 273.0828552 0.12 278.7710266 0.23 279.3808899 0.15 282.4860229 0.18 283.4024353 0.04 284.3919678 0.02 292.7101135 0.04 296.0461426 0.04 297.1934814 0.48 298.1821289 0.07 301.2050781 0.05 303.3574829 0.02 307.7024536 0.08 308.5460815 0.06 309.2355957 0.09 311.2057495 0.04 313.3065796 0.07 314.0533447 0.03 318.8348999 0.08 322.8604736 0.56 324.3952026 0.03 325.4618530 0.01 327.3536987 0.02 328.1151733 0.06 329.2011108 0.05 335.4483643 0.04 336.5621338 0.08 339.0253906 0.34 341.1592407 100.00 342.1601562 14.99 343.0283813 0.05 345.2574463 0.42 351.9943237 0.03 353.2049561 0.02 353.9964600 0.06 356.1549072 0.04 358.3068848 0.11 359.0097656 0.34 369.1566772 0.12 379.2630615 0.05 380.4304810 0.04 382.7305908 0.02 388.8138428 0.18 396.3948364 0.12 397.4758301 0.03 415.6780396 0.09 420.7025146 0.05 422.7412109 0.08 423.4259033 0.06 424.7577515 0.07 430.3329468 0.04 432.3087769 0.28 434.5840454 0.14 438.7610474 0.04 439.5496826 0.03 440.2350464 0.03 442.7490845 0.02 447.1201172 0.05 449.1859131 0.14 452.5653687 0.02 454.7481689 0.12 456.1333618 0.02 457.2993774 0.03 459.3330078 0.02 463.6453247 0.06 466.6356201 0.03 467.3380127 0.05 468.6994629 0.04 470.3131104 0.09 471.1763916 0.07 472.5443115 0.05 474.1483765 0.04 476.5485229 0.03 483.0518799 0.11 485.5914917 0.05 488.3052368 0.06 490.5315552 0.07 492.8538208 0.05 494.5861816 0.04 497.3186035 0.07 502.4321899 0.83 503.2319946 1.80 504.5011597 0.57 506.3003540 0.03 512.4212036 0.11 520.6950684 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 467.1769 Annotation Unknow Peak:m/z Relative Intensity 143.0312805 0.22 155.0143433 0.05 161.1072540 2.13 178.9203186 0.41 201.1182098 0.03 202.8790894 0.02 209.1921539 0.03 217.5979614 0.17 233.1029205 0.09 241.1495209 0.31 243.2773438 0.19 252.9746094 0.06 257.0888367 0.15 259.2300720 0.21 263.0260315 0.71 273.2462463 0.04 276.1360779 0.12 278.3900452 0.05 287.2479248 0.15 289.4240723 0.24 293.2080078 0.34 294.1486511 0.26 295.2969055 0.02 301.1922607 0.06 305.1809692 0.47 306.3840332 0.02 308.3882446 0.01 319.2153931 0.05 321.2107544 0.47 323.1720276 100.00 331.2453613 1.22 334.9746094 0.04 345.5663452 0.20 351.3265076 0.09 355.4875183 0.15 361.3543091 0.05 362.6026917 0.03 365.1930542 32.74 367.2457886 0.03 379.0525208 0.04 379.7473145 0.02 383.2912903 0.08 387.2272034 1.57 395.0548706 0.05 396.8341980 0.05 405.3274536 8.21 406.1970520 0.06 407.0890198 0.65 409.4841614 0.16 410.2099304 0.09 411.5451050 0.08 420.1824036 0.04 422.2002258 0.47 423.2063599 0.30 424.3343201 0.04 429.4615784 0.12 431.3534851 0.03 434.1516113 0.06 447.2803040 0.05 448.4669800 0.22 449.3814697 0.81 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 791.328 Annotation Unknow Peak:m/z Relative Intensity 227.0328369 0.58 228.8591003 0.03 253.3603210 0.03 263.1552734 0.81 264.2376709 0.04 265.2448425 0.01 269.3178406 0.05 281.4584961 0.03 296.1920776 0.03 325.9214478 0.19 327.0188904 0.17 332.3370361 0.03 338.3696289 0.08 364.2593994 0.09 383.2334595 0.04 400.4428101 0.09 439.2614746 0.02 470.4248047 0.04 480.4822388 0.08 497.5684814 0.06 545.2363892 0.01 594.2976685 0.05 596.0648804 0.03 607.1339722 0.04 624.4096680 0.03 726.9174805 0.08 728.5057983 0.12 731.1889038 0.27 731.8297729 0.06 735.3703613 1.66 735.9906006 0.62 738.3643799 0.11 754.8602905 0.21 756.1783447 0.34 757.6553955 0.07 759.1382446 0.24 763.3538208 1.74 764.5595093 0.07 767.5682373 0.63 769.5803223 0.11 775.3564453 0.19 776.1146851 0.39 777.0200195 0.05 781.0565796 0.78 781.9805298 0.27 782.9573364 0.59 786.9863281 0.02 805.6065674 0.23 814.3080444 0.06 823.6725464 0.19 837.8878784 0.10 846.5715942 0.15 849.6425171 0.05 853.4562988 0.28 854.5770264 0.06 855.6103516 0.08 856.5612793 0.48 857.4642334 0.39 858.1143799 0.21 859.0562134 0.12 866.1354980 0.02 869.0789795 0.15 875.0897827 2.57 875.9524536 0.81 878.7781372 0.14 880.8052979 0.18 882.9978027 0.02 889.8015137 0.95 891.4673462 0.14 892.5017700 0.11 893.1806641 0.62 899.5896606 0.48 904.2153931 0.07 908.9094238 0.87 909.7770386 0.09 913.5414429 0.14 919.3173218 0.34 919.9221191 0.20 922.0608521 0.23 923.4472046 0.67 924.0869141 0.05 925.1251831 0.24 926.5322266 0.17 931.2830200 1.73 932.1765137 0.67 933.8571167 0.08 934.8452759 0.03 935.8545532 0.04 936.8341675 0.49 939.2214355 0.17 940.9638062 1.13 941.5676270 1.99 942.2161255 1.85 943.0492554 0.34 945.7605591 0.05 946.9228516 14.19 947.8836060 3.56 952.3711548 0.07 953.4513550 0.05 958.5299683 0.40 959.2263184 0.29 960.1774902 0.05 961.9214478 1.55 962.8192749 0.65 964.0123901 0.31 964.6902466 0.13 965.8759155 0.28 967.9885254 9.34 968.8693237 2.47 969.8115845 0.21 974.0622559 4.68 974.8898926 1.35 975.9155884 0.24 979.3144531 7.62 980.1767578 100.00 981.8940430 1.00 982.9125366 0.81 984.1997681 0.62 985.0255737 0.02 987.1207886 0.16 987.8175659 0.07 990.4267578 0.13 991.1344604 0.04 993.9685669 0.40 994.8967285 0.11 1000.7497560 0.34 1006.4556270 2.17 1007.1414180 1.21 1011.0795900 0.21 1011.9980470 0.40 1013.0180050 0.01 1017.3710330 3.57 1018.3820190 3.92 1019.7590940 0.27 1021.5832520 0.22 1022.1845700 0.32 1027.5122070 0.15 1038.4725340 0.03 1039.2993160 0.08 1099.7302250 0.01 1107.4099120 0.08 1112.7369380 0.12 1117.4656980 0.04 1132.8598630 0.07 1140.1302490 0.08 1171.0361330 0.13 1172.7414550 0.21 1191.1429440 0.04 1195.6182860 0.03 1198.2503660 0.09 1207.1661380 0.24 1212.0388180 0.25 1219.5231930 0.05 1220.8228760 0.35 1221.7950440 0.45 1230.0469970 0.02 1234.2579350 0.15 1251.1441650 0.29 1257.4500730 0.08 1263.5747070 0.04 1265.4647220 0.05 1269.4655760 0.12 1271.2823490 0.17 1276.4069820 0.08 1277.1630860 0.07 1284.5683590 0.16 1288.1452640 0.24 1289.6008300 0.96 1298.1798100 0.21 1304.3936770 0.02 1312.1082760 2.43 1313.1855470 0.68 1314.0031740 0.22 1319.7716060 0.10 1320.6478270 0.06 1322.3883060 0.06 1329.0505370 0.18 1329.6922610 0.04 1331.7473140 0.04 1335.0738530 0.33 1337.5638430 0.30 1338.3922120 1.42 1339.4002690 0.34 1340.6490480 0.08 1346.7119140 0.45 1347.3497310 0.05 1348.5666500 0.07 1378.1523440 0.15 1388.2740480 0.06 1394.0567630 0.14 1395.0087890 0.14 1395.7465820 0.26 1396.7095950 0.32 1397.3270260 0.16 1398.4708250 0.07 1425.5087890 0.02 1442.7637940 0.06 1453.6101070 0.15 1469.5821530 0.03 1475.7192380 0.11 1496.3851320 0.03 1565.8771970 0.08 1579.0013430 0.08 1620.5992430 0.14 1663.5626220 0.04 1704.5618900 0.02 1744.5760500 0.04 1803.9064940 0.09 1815.9793700 0.05 1819.7008060 0.06 1820.7355960 0.05 1822.2298580 0.02 1910.9273680 0.02 1982.4114990 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1058.02 Annotation Unknow Peak:m/z Relative Intensity 307.2264404 0.05 438.0132751 0.21 438.6851196 0.02 453.5097351 0.85 454.3345337 0.26 455.4559631 3.06 456.4608154 0.10 470.4151611 0.06 471.3031006 0.10 472.2604370 0.16 483.5175476 0.17 505.0982666 0.20 506.2415771 0.12 509.6338806 0.16 523.4927979 5.72 524.4196167 0.46 533.3514404 0.21 537.4711914 2.04 538.5239258 0.41 549.4964600 5.92 550.5043945 0.63 551.5879517 5.87 552.4760742 0.68 565.7126465 0.17 567.6141968 0.11 569.5087891 3.12 570.5842285 0.38 577.1862793 0.24 578.2588501 0.11 579.4661865 0.04 583.4338379 0.21 587.6427002 0.34 588.5141602 0.08 593.8668213 0.17 595.3998413 2.33 596.5062256 0.24 605.5138550 0.05 613.4531860 1.06 629.7363281 0.06 655.6408691 0.07 683.6306152 3.30 684.6906128 0.46 697.4293213 0.09 701.5059814 8.03 702.6765137 1.29 713.6679688 0.21 715.4712524 0.11 719.6892090 0.79 727.5697021 0.58 728.6741333 0.05 740.5395508 0.04 741.3417358 0.05 745.5700684 7.99 746.5661621 1.49 756.6147461 0.03 757.4086914 1.13 762.0297852 0.06 763.5279541 8.30 764.4524536 0.81 765.1273193 0.08 775.3845215 0.12 776.0388184 0.07 776.7037354 0.06 788.2147827 0.05 793.5812988 0.03 805.4191895 0.30 833.4819336 1.07 834.4957275 0.15 836.3696289 0.03 851.6343994 0.09 875.8662109 0.12 877.7297363 0.05 881.3647461 0.03 895.5257568 100.00 896.5134277 15.99 897.1900635 0.15 907.9753418 0.10 908.8620605 0.06 925.5622559 14.02 926.5456543 2.21 927.5169678 0.26 937.4719238 2.88 938.5341797 0.19 967.5595703 0.39 968.5478516 0.03 979.7650146 0.05 997.6376953 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 651.25 Annotation Unknow Peak:m/z Relative Intensity 192.2062378 0.11 193.1043243 0.11 198.4112854 0.07 208.1241760 0.15 212.0615845 0.21 213.1790009 1.10 213.8251038 0.47 217.2133331 0.23 218.4632568 0.17 220.1035614 0.49 226.7290649 0.70 230.1543427 0.42 232.2120361 0.24 235.1687775 0.44 238.1076660 0.15 239.0283203 0.50 241.3214722 0.13 243.8044434 0.17 245.2455292 0.16 248.2834625 0.37 249.3179321 0.26 250.3646545 0.19 254.6190643 0.63 255.2703247 0.15 257.0008850 0.10 258.1217041 2.38 260.2552490 0.16 261.6292725 0.13 270.1927490 0.56 271.2055054 0.95 275.3947754 1.83 277.6898499 0.40 279.6611938 18.90 280.3661804 5.76 291.4845581 0.73 297.1784058 0.71 303.0255737 0.25 305.6315918 0.30 308.4288330 0.51 309.2953796 0.12 310.7382812 0.11 313.5268555 0.29 320.0731812 0.32 321.8682251 0.37 322.7210083 0.10 323.4315186 0.22 325.3347778 0.08 327.3577881 0.24 330.7318726 0.47 338.0979614 0.32 339.6962891 0.30 347.3036499 1.15 351.3915405 0.24 353.8820801 0.09 355.8496704 0.37 360.4337158 0.17 366.2886963 0.17 369.3320312 0.67 370.8601074 0.85 375.2911377 0.12 386.4285889 2.17 388.6226807 0.22 396.4964600 0.25 403.3308716 0.30 405.5765381 0.12 412.4528809 0.05 415.6262817 0.32 421.7338867 0.35 426.3587036 0.82 427.9569092 0.16 434.9279785 0.17 436.2438965 0.65 438.4030762 0.78 442.9927368 1.22 443.6377563 0.31 444.5917358 0.34 447.1880493 0.15 455.1636963 0.92 456.4132080 0.86 460.6335449 0.10 461.4091797 0.17 464.4067993 0.09 469.5775146 0.10 470.3687134 0.30 471.1437988 0.43 473.2830811 0.57 481.7898560 0.29 482.6978149 0.42 485.7023926 0.41 488.6820679 0.26 490.1315918 0.78 492.1234741 0.44 495.6871338 0.08 499.4671021 0.19 500.3927002 0.32 510.4448853 0.11 511.6201172 0.55 516.6331177 0.12 518.2276001 1.08 535.0455322 0.28 536.3990479 0.61 541.3546143 0.21 543.9461060 0.23 545.5622559 0.10 554.5257568 0.30 555.9520874 0.96 558.3237915 3.90 559.2623901 1.59 566.6043091 1.20 570.1455078 1.09 572.2389526 0.57 575.8228149 3.31 576.4609375 0.60 577.4396973 0.42 579.6995239 1.29 582.2871704 1.31 584.9917603 2.76 588.9837036 3.50 589.9956665 1.41 591.7516479 0.32 592.4772949 2.21 593.5707397 0.14 594.9033203 0.21 595.9768677 0.94 597.3726196 2.62 598.1832886 1.39 599.8811646 2.45 600.9269409 3.15 602.1321411 1.38 603.8568726 1.35 604.6145630 3.54 607.1238403 1.09 607.8505249 2.88 609.4962769 4.29 610.4559937 1.29 611.6769409 1.69 612.7200317 3.69 613.8175049 3.87 614.6948853 2.76 615.9646606 5.48 617.3382568 1.22 618.6149292 5.62 619.5090332 1.60 620.7166748 2.47 621.7443237 4.55 622.6904907 6.23 623.6248169 3.13 624.9841309 13.06 625.9147949 3.52 626.8733521 8.37 627.8543091 8.56 628.6680298 3.05 630.1738892 28.58 631.3688965 9.86 632.2395020 6.03 633.6965942 31.99 634.3226318 4.02 635.5299683 8.02 637.3940430 69.36 639.0626831 30.56 639.8283081 10.09 640.7211304 16.75 641.3544312 6.80 642.5184326 55.64 643.3615112 4.23 644.3572388 9.22 646.8371582 0.22 655.1483765 1.24 660.2044067 1.32 663.7431030 1.10 665.2913208 0.22 666.3356323 2.69 669.8807983 1.86 670.5321655 2.55 672.0120239 0.24 673.6461792 1.58 675.9149780 0.76 676.8099976 1.51 677.5228882 0.26 678.9574585 0.72 679.8641357 0.51 681.1854858 2.99 682.6938477 1.84 683.7940063 1.01 685.8131104 1.19 687.0993042 1.27 687.9660034 2.57 689.5844116 2.08 691.4453125 1.85 693.6707153 0.23 694.4219971 1.93 695.9161987 1.33 696.7472534 1.12 699.2266846 1.10 700.4343872 0.91 701.6308594 2.22 702.7147827 1.35 704.1021118 1.29 705.7523804 0.82 706.5626221 3.23 707.5487671 1.30 708.4038086 2.15 709.1972656 1.40 710.6940308 0.69 711.3355103 1.08 712.2454834 3.16 713.2657471 2.43 714.6226196 1.26 717.8106689 4.37 718.4526978 0.41 719.8382568 1.87 721.5624390 1.10 723.4162598 1.92 724.1550293 4.22 725.4859619 2.88 726.5857544 4.78 728.3400269 4.47 729.4891968 2.42 730.1668701 1.38 731.5352173 2.48 732.5498657 4.44 733.5213623 0.79 734.6560669 3.91 735.8084717 0.30 736.6806030 2.26 737.5931396 3.41 738.4412842 3.53 739.1456909 4.86 740.0894165 1.32 741.0033569 1.56 742.8878174 4.84 744.5702515 3.48 745.4768677 7.89 746.7155151 2.59 748.2468872 4.50 749.2072144 11.72 749.9367676 6.24 750.9022827 4.17 752.1294556 5.54 753.0173950 5.42 754.0089111 7.75 755.2365112 4.52 756.4190674 12.61 757.3342285 7.62 758.5324707 1.90 759.1892700 5.89 760.0535278 1.13 761.0391846 3.33 763.1505737 6.67 764.1441040 2.53 765.8500366 2.08 766.8276367 11.67 768.0445557 4.46 768.9654541 9.41 769.8016357 8.52 770.8603516 3.17 771.8840332 8.06 772.5112305 0.18 773.3155518 4.23 774.3438721 8.77 775.7505493 0.75 777.1615601 9.80 778.6326294 13.01 779.9320068 6.71 780.5383301 7.43 781.5911865 7.82 782.5615845 4.48 783.3056641 1.98 784.4855347 9.35 785.3565063 3.67 786.2255249 4.88 786.9989014 5.74 787.6312256 7.35 788.6870728 12.60 789.3906860 2.24 790.0223999 0.25 791.5487671 10.10 792.1916504 6.29 792.8638916 2.65 794.1682739 1.24 795.2576294 2.83 796.1466675 8.20 796.8812256 7.63 798.1507568 3.40 799.4884033 14.57 800.3986206 1.23 801.7451782 1.74 802.6361694 0.34 803.9575806 1.20 805.4452515 4.92 807.3487549 2.63 808.1105347 0.50 809.1972046 1.19 809.9623413 10.98 810.7922974 0.99 811.4376831 1.43 812.4471436 0.27 815.0835571 0.23 815.8424683 1.15 816.4732056 1.17 817.4168701 3.68 818.1128540 0.99 820.2595215 0.89 823.1378784 0.23 824.2252197 0.66 826.0842285 0.31 827.6846313 0.60 828.8503418 0.80 830.8283081 1.34 831.7251587 0.16 832.7538452 1.27 833.9338989 0.43 836.3763428 0.99 837.0624390 0.94 839.9234009 4.14 841.0703735 0.51 842.6715088 2.96 844.1221313 1.74 845.2432861 0.21 846.4314575 2.64 847.8427734 1.21 848.5549927 0.65 849.3703613 0.47 852.5883789 0.74 853.2328491 1.12 855.3439331 0.26 856.8200073 3.46 857.5921021 0.31 858.3816528 0.79 859.7797241 2.47 860.8700562 2.53 862.6145020 0.89 865.2878418 4.80 866.0510254 3.56 866.7232056 3.03 869.2471313 2.99 870.3242798 1.11 871.5259399 2.16 872.6010742 0.46 873.8540649 4.31 875.5043945 10.22 876.5776367 2.41 877.6384277 1.87 878.4746704 0.82 879.7820435 0.95 881.2310181 1.00 882.1321411 2.41 883.6837769 1.06 884.3342285 2.41 886.0924683 1.23 886.9982300 4.53 888.0305786 3.04 889.5200806 2.99 890.3823242 0.70 893.3309937 16.79 894.1049805 2.86 894.8866577 0.39 896.5803833 2.28 897.2031860 0.95 898.8254395 41.94 899.4741821 100.00 900.6914673 1.13 902.8539429 3.23 903.5392456 0.12 904.4843140 0.36 905.9824829 1.24 908.5213013 1.45 911.1408081 1.62 913.1307983 0.82 914.5927734 1.05 915.6572266 0.69 916.4663086 0.47 917.5112915 1.17 919.5993652 1.09 920.7277832 0.77 922.3507690 2.14 925.2443848 0.55 926.5092773 0.48 928.5473633 0.46 932.9960938 1.01 934.2172852 0.79 935.1518555 2.26 935.8871460 0.17 937.1889648 1.47 938.2877808 1.55 938.9404907 0.22 940.6253052 2.71 941.9157715 0.50 945.7738647 2.54 946.9190063 0.79 948.6340332 0.14 950.7902222 6.15 951.5764160 1.48 955.9475098 4.68 956.9125977 15.57 957.7072754 0.92 958.7275391 0.58 959.9453125 1.32 964.8746948 1.48 979.4277344 0.79 980.2714844 0.29 981.1546021 0.65 982.9768066 0.69 983.8554688 0.43 988.3154297 0.80 989.1335449 0.78 993.1110840 1.85 996.6199341 1.22 998.6274414 0.92 999.5292358 1.26 1000.5104370 1.77 1002.5520630 0.15 1003.2778320 0.85 1004.9374390 2.56 1006.1484990 2.32 1015.3432620 1.12 1018.0065310 0.45 1023.7726440 0.38 1028.2399900 0.42 1031.2119140 0.17 1032.9177250 1.70 1037.1962890 0.72 1037.8415530 0.68 1041.7799070 1.01 1043.4799800 0.27 1051.8304440 0.18 1081.5061040 0.45 1084.7133790 0.25 1090.6096190 1.35 1097.1235350 0.99 1102.4025880 0.85 1107.2053220 0.74 1112.5231930 0.23 1114.5603030 0.32 1134.8229980 0.40 1137.5231930 0.15 1139.0036620 0.69 1153.1145020 0.13 1174.6601560 0.30 1177.3474120 0.18 1181.9057620 0.34 1199.0709230 0.40 1218.4779050 0.72 1219.3375240 0.43 1226.6739500 0.54 1228.0855710 0.55 1234.1961670 0.30 1246.1319580 0.37 1253.3901370 0.29 1280.5037840 0.34 1291.6622310 1.07 1299.2452390 0.71 1318.2812500 0.48 1319.7384030 0.23 1332.3143310 0.26 1338.6383060 0.19 1380.7712400 0.12 1414.6607670 0.19 1442.3812260 0.21 1556.9045410 0.13 1570.3094480 0.29 1577.2025150 0.30 1596.5002440 0.21 1705.5699460 0.53 1748.6265870 0.07 1892.7730710 0.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 475.3047 Annotation (+)-Ambruticin Peak:m/z Relative Intensity 137.1306458 0.19 139.1039734 0.22 155.0602417 0.17 157.0667419 0.03 173.2012329 0.03 177.1332397 0.83 186.7238159 0.03 191.1394348 0.17 193.0837097 0.10 198.9176941 0.05 201.0157318 0.09 205.0862732 0.03 207.3404388 0.10 209.0743408 0.12 214.2021332 0.05 223.1104431 0.04 231.2431793 0.04 232.9799194 0.04 241.5145264 0.19 245.0196075 0.04 249.0722046 0.03 253.4127808 0.19 255.2237244 0.10 257.0014038 0.05 263.2816772 0.04 265.2559204 0.58 267.2552490 0.42 273.4787903 0.04 279.1040039 0.02 280.8224487 0.10 283.1616211 1.15 285.2673340 1.45 289.0885925 0.08 291.7270813 0.13 295.1498718 0.02 296.2882690 0.03 299.2070618 3.03 301.1984253 52.60 302.1727905 0.31 303.2605896 9.52 305.2459106 0.29 311.2010498 0.28 312.2155151 0.02 313.2393799 0.06 316.4031982 0.07 317.3356934 0.06 321.0028992 0.07 323.4551697 0.03 327.4111328 0.18 329.3238831 0.74 331.0112915 0.20 333.3935852 0.19 335.4309082 0.11 339.1839905 0.83 345.1889954 0.21 346.4754333 0.06 347.2839966 0.07 351.4855347 0.18 353.1727600 0.14 354.9085999 0.03 357.2084351 2.57 358.3052368 0.08 359.3837891 0.08 362.0282288 0.07 363.0325928 0.16 364.2964478 0.11 367.2738647 0.17 369.4666138 0.09 371.2774658 0.32 372.2430420 0.03 373.5051575 0.37 375.1697388 0.94 379.2590637 0.03 383.5236511 0.09 385.2729187 0.20 395.6426697 0.21 403.3942871 1.48 409.5697937 0.06 413.1086121 0.14 416.3207397 0.08 417.4244690 0.06 421.2768860 8.46 433.2575378 0.14 439.2739258 71.31 439.9485168 0.38 447.4481506 0.22 457.3108826 100.00 458.0380859 0.13 465.6371155 0.12 466.9737854 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 999.91 Annotation Unknow Peak:m/z Relative Intensity 309.1311340 0.67 439.4758301 3.58 480.9834900 0.27 601.1778564 0.66 645.6387939 0.06 663.5009155 3.97 733.6493530 0.12 777.3981934 1.28 793.8264160 0.06 817.0238037 0.16 821.6350098 0.10 835.5876465 4.35 837.4797363 0.28 839.4924316 40.74 851.0927734 0.26 878.8461914 0.22 879.5456543 8.90 895.3134766 1.56 897.4479980 44.54 923.5017090 0.13 927.1087646 0.30 927.8588867 0.34 937.2532959 1.68 937.9128418 0.11 939.3050537 0.78 940.3620605 9.32 941.0113525 0.12 955.4851074 100.00 971.4003906 0.18 981.4379883 2.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 695.2766 Annotation Deutziol Peak:m/z Relative Intensity 205.1454163 0.34 229.3007355 0.17 231.2239838 0.07 249.1502075 0.41 265.1021729 0.48 267.1529541 0.02 268.2504578 0.03 283.1308594 8.49 288.1398926 0.03 304.9947510 0.17 306.2268372 0.06 307.2456970 0.07 323.3790283 0.07 335.2562256 0.05 336.0562744 0.07 355.4277344 0.04 395.2632446 0.07 411.3571167 0.26 417.1733398 0.04 457.3505859 0.12 471.1840210 0.95 497.1571655 0.12 515.2806396 100.00 518.5247803 0.02 519.3467407 0.13 520.1312866 0.06 530.9679565 0.03 533.4484253 0.12 537.5772095 0.02 539.4049683 0.02 547.4674683 0.02 563.9721680 0.10 565.0305176 0.07 571.6310425 0.05 572.9036865 0.02 573.5421753 0.26 574.5678101 0.14 576.1034546 0.04 576.9717407 0.10 591.5062256 0.10 619.1576538 0.04 633.4017334 0.03 635.2733154 0.02 647.0333252 0.05 649.0573120 0.15 650.4286499 0.05 657.3637085 0.13 676.3421021 0.13 677.4213257 0.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 189.08 Annotation Diethyl L-malate Peak:m/z Relative Intensity 59.0680885 0.21 71.1833115 0.05 72.9954605 0.10 86.8709106 0.07 93.1842499 0.03 96.9787598 0.62 99.0425720 0.53 109.0636902 2.74 125.0546875 0.50 127.0122375 100.00 131.0498962 0.06 132.0267639 0.07 143.1026306 14.83 145.0884247 2.35 146.2209930 0.09 153.1572723 0.47 154.9663849 0.03 161.0844116 0.03 171.0031281 7.61 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 464.8 Annotation Unknow Peak:m/z Relative Intensity 212.7515869 0.19 296.7420044 16.69 302.8452148 1.08 371.1226807 0.32 378.1453857 7.61 379.2149353 3.50 380.1356812 34.37 380.8056335 100.00 421.5658569 0.27 446.8156128 1.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 347.0021 Annotation Unknow Peak:m/z Relative Intensity 110.9719620 0.40 113.0355148 0.18 114.9492493 4.29 126.9202042 0.07 132.9188995 12.77 133.7037048 0.22 147.2746735 0.37 152.6321106 0.09 155.0927124 0.14 157.0091248 0.25 170.8961334 0.70 173.0557404 0.49 175.0912781 100.00 177.1593323 0.35 189.2420959 0.18 191.0432434 6.76 211.3479614 0.06 212.9791260 0.34 214.2620544 0.11 216.2656555 0.11 217.0612488 0.16 225.1451111 0.10 226.9504395 0.21 237.2820740 0.18 243.0903931 0.86 249.3509827 0.49 253.9684753 0.32 255.2049866 0.12 256.3046875 0.12 257.0307007 0.16 261.0982361 0.39 267.1608276 0.09 270.2481384 0.07 271.0068970 0.10 274.8221130 0.14 284.1466064 0.68 284.8743286 0.10 286.9489441 1.81 300.8372192 0.09 303.1490173 0.59 309.9858398 0.16 310.9300537 0.38 312.2691956 0.45 317.0711975 0.32 319.2078857 0.21 328.9993591 2.06 331.3883057 0.15 332.2845459 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 591.2296 Annotation Ligurobustoside M Peak:m/z Relative Intensity 169.8818207 0.07 178.8966980 1.35 185.2754517 0.85 187.1513062 3.83 197.2720032 0.17 201.3153381 0.24 203.1817017 0.38 205.2288513 5.43 215.0968018 0.24 216.9857330 0.14 223.1997833 0.14 229.1891785 4.89 231.2569885 0.34 241.2060394 0.09 246.6506042 0.22 247.2614288 1.66 249.1255035 18.07 259.3649292 0.16 270.4032593 0.04 271.2935791 0.38 273.4010620 0.16 275.2569885 0.06 276.9656067 0.55 283.2610168 0.34 291.0017090 1.05 294.8959656 0.12 301.4421997 0.38 321.0515747 0.20 323.3415527 0.42 331.4552002 0.09 349.1256714 0.17 350.0805054 0.12 351.2531128 1.15 363.0957031 0.04 367.2297974 0.54 375.2556763 0.04 385.2851562 7.41 392.8571167 0.13 411.2287598 17.47 429.2692261 100.00 471.1916504 1.14 483.4831543 0.19 501.2559814 0.94 531.2769165 2.11 555.1412964 0.10 573.2363892 0.39 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 681.1459 Annotation Unknow Peak:m/z Relative Intensity 193.2518158 0.06 201.1342010 0.08 203.2011108 0.08 217.1752625 0.06 219.0955963 0.05 229.0984497 0.46 231.0199890 0.07 261.1124268 0.32 269.2214355 0.04 282.3912354 0.09 301.4422607 0.13 303.0450745 0.05 321.1505127 20.36 329.1248779 0.67 329.7763062 0.07 339.0374146 0.10 343.1517944 0.26 344.1404419 1.20 345.1262207 0.19 355.1513062 0.07 359.1553345 4.26 367.3126831 0.08 368.9929810 0.26 369.6100464 0.07 372.0434570 0.10 385.2681274 0.13 395.1743774 0.06 401.3211670 0.56 412.2192383 0.05 414.3485107 0.10 427.2767334 0.27 429.2098999 0.08 455.1772461 0.27 457.4162598 0.07 470.4891357 0.04 473.2015991 0.43 474.4577637 0.05 485.0328979 0.10 487.2463379 0.19 502.1250000 0.07 505.4072876 0.09 517.2509766 100.00 519.1409302 1.49 527.3201294 0.09 564.9699097 0.06 574.2379761 0.07 585.3542480 0.61 590.3674927 0.02 595.4380493 0.10 605.6288452 0.02 637.2519531 0.18 649.1510620 0.08 658.2388916 0.03 663.4401245 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1133.3029 Annotation Unknow Peak:m/z Relative Intensity 321.2912598 0.08 322.0331116 0.26 345.0767212 0.23 346.4047852 0.14 386.9271240 1.33 388.2575073 0.12 405.0037231 2.86 406.2370605 0.59 423.1426392 0.05 449.2705688 0.21 461.3892212 0.12 471.0628052 0.07 491.1333618 0.08 501.3167114 0.24 509.2401428 0.14 539.1763306 0.19 551.2897949 0.55 563.3055420 1.05 564.3013916 0.46 569.1304932 1.50 581.2516479 0.65 582.1547852 0.21 588.1298828 0.18 606.0122070 0.07 611.1801758 0.21 623.2452393 3.77 624.2825928 0.08 630.6413574 0.47 647.0134277 0.08 649.4520874 0.08 665.4188232 0.06 666.2366943 0.13 667.2807617 0.50 668.4035034 0.57 683.4809570 0.19 685.2187500 0.52 686.1831665 0.07 707.0407715 0.30 707.8840332 0.34 709.2119141 20.21 710.3317871 2.98 727.2116699 74.35 728.2952881 13.62 733.4157715 0.36 734.1904297 0.38 751.2635498 1.14 752.1204224 0.19 769.2245483 1.04 770.5730591 0.15 793.0900269 2.52 794.2708740 0.73 811.1752319 2.84 812.0540771 0.27 822.7874756 0.11 823.5357666 0.17 824.2050781 0.08 867.3437500 0.05 871.0598145 0.78 872.4278564 0.63 882.9011230 0.16 898.7362061 0.32 899.4764404 0.08 907.2457275 0.13 908.7758789 0.36 914.0982666 0.10 916.4732666 0.09 927.1003418 8.43 928.1661377 2.29 957.2587891 1.45 957.9833984 0.17 961.5391846 0.14 967.2912598 0.20 969.3889160 1.56 970.4117432 0.14 975.4322510 2.25 976.3265381 0.39 985.2662354 0.07 987.1352539 4.05 988.2492676 0.88 999.4709473 0.45 1011.1514890 0.10 1017.0985110 0.67 1029.1547850 10.53 1030.2764890 3.41 1053.1674800 0.66 1055.4062500 1.17 1056.2757570 0.13 1071.2114260 0.73 1073.1879880 2.01 1074.0032960 1.36 1074.6320800 0.04 1089.2193600 0.40 1091.1911620 2.45 1092.3245850 0.90 1097.1756590 0.56 1097.7775880 0.06 1098.7055660 0.22 1115.2424320 100.00 1116.3344730 31.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 617.12 Annotation 11,12,13,15,16-pentachloro-14-hydroxytetracos-1Z-enyl sulfate Peak:m/z Relative Intensity 173.0871277 0.32 179.1839752 0.15 189.2194366 0.24 190.9584656 3.40 191.5962830 0.02 200.0278778 0.03 209.0773163 0.19 235.0854797 0.06 250.8665161 0.05 254.1711273 0.04 255.3740845 0.03 272.2202759 0.24 273.1036987 0.15 288.2539673 0.04 292.3128052 0.08 303.1953125 0.13 308.1556396 0.19 309.1615906 0.30 319.2578125 0.31 320.9325562 0.19 337.6002808 0.03 342.1206055 0.06 342.9851074 0.03 349.1943970 0.11 358.3040161 0.04 363.1093140 11.06 365.3731689 0.06 369.0865479 0.31 374.9376221 0.12 381.1817017 100.00 389.8825684 0.11 393.2836914 0.10 395.3087769 0.12 397.2257690 0.08 407.1464844 0.21 415.3698120 0.12 425.3280640 0.51 451.2131348 0.05 467.2052612 0.11 485.5066528 0.14 487.1907349 0.17 489.2665405 0.17 500.0628052 0.20 511.0261841 0.11 518.9656372 0.34 527.1402588 0.13 528.9221191 0.12 530.9283447 0.03 541.3832397 0.15 542.5645142 0.06 543.2745361 0.11 555.1118164 0.14 573.1404419 0.43 579.1867065 0.18 580.9546509 0.35 585.3659058 0.13 599.1295166 5.02 599.7585449 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 456.1485 Annotation Unknow Peak:m/z Relative Intensity 132.0200806 0.09 144.3838196 0.02 145.1519318 0.04 146.7937775 0.05 164.9143372 0.25 182.0401001 2.23 226.2205353 0.05 227.1152039 0.02 229.1861115 0.27 233.2249603 0.02 249.0759277 0.13 254.7434998 0.06 261.7757263 0.15 269.0061340 0.10 274.9517517 100.00 275.7221375 0.39 276.9013977 0.04 282.3024902 0.05 297.0313721 0.08 305.4569702 0.05 307.0278931 0.25 324.3059692 0.10 325.0350342 0.27 327.1276550 0.07 336.2565918 0.07 339.1795349 0.05 359.3221436 0.03 367.0377808 0.09 381.2883301 0.04 382.4983826 0.04 389.6358032 0.06 392.1440735 0.18 393.3558044 0.06 394.1457214 0.03 395.0562439 0.10 402.9979553 0.29 409.4062500 0.09 412.9264832 0.16 418.2290955 0.24 419.1099548 0.04 420.8139343 0.28 427.4776306 0.11 433.1929321 0.26 437.2973938 0.83 438.3323669 0.54 439.1139832 0.25 450.2023621 0.61 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 384.17 Annotation Prazosin Peak:m/z Relative Intensity 115.1034851 0.07 132.0708923 0.21 139.9636078 0.04 141.0264587 0.05 143.7136688 0.29 145.2165985 0.08 146.9923553 0.23 149.0453186 0.06 159.2993164 0.10 161.2385864 0.13 171.0798340 0.05 174.2862854 0.47 175.2969666 0.07 186.9911194 0.18 188.2548676 0.05 191.0336914 0.63 193.0833740 0.05 195.9254761 0.09 197.6077576 0.03 199.3219299 0.18 203.3074188 0.08 205.0437927 16.08 209.0068359 0.29 210.1234283 0.13 212.7489166 0.24 217.2841797 0.15 220.1198120 0.26 222.0982513 100.00 223.3829041 0.05 228.3746338 0.08 228.9866638 0.14 229.7981873 0.20 231.0181274 0.10 234.9979858 0.06 241.3571777 0.30 242.3726807 0.20 244.3045959 0.07 247.2083435 0.32 252.1445618 0.36 255.1636658 0.24 258.0970459 0.22 259.0239868 0.08 264.1495056 0.78 264.9945068 0.09 266.9686890 0.11 268.0272217 0.12 269.9261780 0.04 276.1701660 0.05 279.2791443 0.26 281.9505920 0.08 285.2442627 0.58 285.9029236 0.06 294.0910950 0.53 295.2514038 0.46 296.0099487 0.11 300.3248901 0.28 301.3209839 0.08 305.2525635 0.05 308.2158813 0.06 310.4807434 0.33 311.5072021 0.15 314.4072876 0.04 320.0316162 0.16 320.8215942 0.62 321.9130859 0.05 325.7172241 0.35 333.5997314 0.08 336.0693054 0.44 338.2549438 0.20 339.1710815 0.09 340.1767578 0.06 343.2676392 0.23 346.3439941 0.32 347.1501465 0.13 348.1228943 1.47 348.9461365 0.06 351.5827332 0.42 354.3854065 0.32 356.4563293 0.13 361.9447632 0.29 362.7954407 0.66 366.1723938 7.92 367.2863159 0.51 368.3440552 1.28 374.9561768 0.79 378.3309021 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 445.2948 Annotation Spirosta-5,25(27)-diene-1beta,3beta,11alpha-triol Peak:m/z Relative Intensity 127.0225983 0.15 131.1251221 0.02 133.0656891 0.05 134.8834381 0.04 139.1363678 0.18 142.8007050 0.07 145.0582733 0.37 147.1784515 0.23 148.9055786 0.37 150.9827271 0.07 157.0591736 0.11 158.1248169 0.04 159.0150757 0.58 161.0932922 0.24 163.0647583 0.18 165.3692017 0.11 168.0192261 0.08 169.1739502 0.28 170.8681793 0.04 173.0543518 1.18 175.1591187 0.29 177.1928711 0.56 179.0811462 1.34 181.0385437 0.20 183.1487732 0.19 184.0440369 0.10 185.2999573 0.26 187.1723328 0.37 189.1266479 0.37 191.0692139 0.36 193.0599976 0.19 195.2881165 0.06 197.0449524 4.60 199.0189819 0.58 201.2297363 0.43 203.2246857 0.07 205.2823639 0.44 207.1837311 0.33 209.0632935 1.08 211.1623840 0.23 213.1190186 0.87 217.2334137 0.22 219.3291168 0.33 221.3945007 0.20 223.0497437 0.34 225.1257019 0.83 227.3517761 0.21 229.1189575 0.05 231.1250000 0.34 233.3202667 0.12 235.2748260 0.45 237.2588806 0.13 239.2140808 0.81 240.1405640 0.10 241.1416931 0.64 243.1342163 0.13 245.2615051 0.28 247.3595276 0.25 249.1603699 2.79 251.2166138 0.51 253.3875427 1.11 255.1918945 1.11 257.0705261 0.17 259.2291565 0.30 261.3020630 0.18 263.1659546 1.67 265.2966614 1.95 267.3195801 1.31 269.0579834 0.59 271.2292480 0.67 273.2243042 0.25 275.4787292 0.25 277.2593384 2.11 279.4192810 0.26 281.1998901 0.67 283.2617188 4.46 284.4716797 0.17 285.3394775 1.70 287.2029419 0.07 289.3783264 0.48 291.1808472 0.24 293.0482788 0.11 295.2865295 5.00 297.1987915 0.32 299.1704102 1.43 301.2299194 34.40 302.2362976 1.45 303.3206177 0.90 305.1430664 1.07 309.3070984 1.11 311.1483765 0.57 312.0522156 0.05 313.3334351 3.73 315.4565735 0.54 316.2966309 0.16 317.3782349 0.89 319.3473206 1.10 321.2707520 0.84 323.1986694 1.44 324.9767456 0.99 327.2424622 0.26 329.2707825 2.87 331.2455444 3.91 333.3129272 0.74 335.3684082 1.24 337.1856079 0.03 338.6031494 0.33 339.4150391 0.53 340.5367432 0.14 341.2636719 0.18 343.1863708 0.39 345.3134766 0.58 346.5043945 0.15 347.4524231 0.31 348.6883240 0.42 349.4249878 0.09 351.2476196 0.84 353.3292236 1.30 357.2009888 0.12 359.3987427 0.06 361.2233276 0.11 363.1895752 0.66 365.2844238 0.26 367.2319031 0.12 369.1180115 0.12 371.3477478 3.34 373.3370667 2.86 374.3224487 0.13 381.4276123 1.13 385.3929138 0.19 387.5806580 0.25 391.3625183 10.01 399.4986267 1.16 409.3769836 25.91 412.3283386 0.10 415.1885681 0.09 417.4518127 1.71 419.7234497 0.10 427.3284302 100.00 428.2651672 0.28 431.1702271 0.14 436.7035522 0.08 438.7884521 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1287.5687 Annotation Unknow Peak:m/z Relative Intensity 501.7207031 0.54 525.3936157 0.19 543.5952148 0.46 626.5177002 0.10 627.7769775 0.52 629.4017334 0.21 647.5895386 0.21 689.7392578 0.44 690.7724609 0.41 731.4970703 0.16 760.6731567 0.12 769.2648926 0.08 783.2339478 0.04 785.6257324 0.06 793.5725708 1.37 809.6231689 0.10 835.5025024 12.49 836.6369629 1.27 893.5617676 0.14 951.4093018 0.40 979.5906982 0.28 981.2734375 0.46 1012.3586430 0.09 1013.3746340 0.19 1071.5189210 0.10 1109.5333250 0.11 1125.7495120 0.21 1126.7238770 0.14 1127.7232670 1.25 1128.6331790 0.34 1139.5190430 0.08 1143.4667970 100.00 1144.4436040 9.39 1155.3773190 0.16 1157.3171390 0.88 1157.9199220 0.34 1168.4869380 0.78 1171.3751220 1.17 1172.0039060 0.55 1185.5898440 0.57 1201.0302730 0.15 1213.4064940 0.07 1225.5773930 0.07 1243.6480710 1.87 1244.5183110 0.57 1269.4079590 60.07 1270.4565430 7.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1275.57 Annotation Unknow Peak:m/z Relative Intensity 421.5502014 4.22 439.3804016 4.23 483.3043823 3.91 501.3834839 33.77 543.4311523 22.10 629.4046021 22.00 646.8732300 2.47 647.5224609 4.53 773.2492065 3.78 809.8294678 2.11 817.4115601 34.60 907.5555420 50.90 908.4940186 4.47 925.8208008 20.64 949.6845703 3.02 967.4277344 100.00 1063.5345460 7.42 1107.7626950 4.24 1143.7856450 53.46 1144.6186520 34.67 1145.5162350 3.07 1171.0996090 6.93 1231.2438960 3.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 757.3855 Annotation Unknow Peak:m/z Relative Intensity 221.2800293 0.06 225.1360168 0.02 251.4105835 0.17 263.0945129 0.04 271.2734985 1.95 272.4472961 0.07 285.5231934 0.05 295.4700928 0.03 303.3239136 0.10 313.1917114 0.07 317.5520935 0.08 335.6191711 0.09 361.1708374 0.04 367.3558350 0.05 379.4432373 0.13 393.7548218 0.06 415.4583740 2.36 416.5126343 0.40 433.3860474 10.42 434.2787476 0.24 439.1422729 0.10 448.4761963 0.03 457.3392944 0.12 467.2689209 0.02 473.5296631 0.02 475.4763184 0.05 481.6139526 0.02 517.3602905 0.09 529.2750244 0.15 541.4597168 0.06 559.4793091 1.47 577.4621582 21.34 578.5676270 0.67 581.1467896 0.07 582.5827637 0.03 595.4380493 100.00 596.5269165 4.47 601.5138550 0.04 603.3954468 0.01 609.5033569 0.07 619.4925537 0.37 626.7581177 0.09 631.5458984 0.06 635.6076660 0.06 637.2970581 0.31 638.7194214 0.20 649.2136230 0.04 652.4729614 0.08 655.5108643 0.07 673.5177612 0.01 677.3786011 0.17 683.3110962 0.08 691.4042358 0.20 704.0681152 0.15 709.3103638 0.16 710.7860718 0.05 712.2481079 0.02 713.4674072 0.25 721.5657349 1.20 724.7369385 0.14 731.5279541 0.02 733.3889160 0.12 734.0459595 0.14 739.4743042 44.27 740.4946899 2.97 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 579.1929 Annotation Excelside A Peak:m/z Relative Intensity 195.2361755 0.03 207.3076172 0.02 236.2566528 0.04 265.0391541 0.04 266.2828979 0.05 290.9689941 0.02 323.1263428 0.05 335.0999146 0.03 337.1415405 0.10 338.4241333 0.02 341.0527954 0.01 355.4620361 0.10 360.0922241 0.03 363.0194702 0.06 365.3165894 0.05 375.1578979 0.08 383.4846802 0.03 399.2528687 0.10 400.8521118 0.09 403.1884766 0.08 405.1591187 0.05 411.2886963 0.04 414.3948364 0.02 415.4669189 0.03 417.2268066 0.30 419.2343750 0.04 427.1416626 0.05 432.6944580 0.04 439.4667969 0.01 443.4655151 0.02 447.4658203 0.06 449.1399536 0.04 457.0108643 0.01 459.4733276 0.30 480.3170776 0.03 481.3155518 0.04 482.4848633 0.05 483.2888184 0.07 484.3217773 0.04 489.3157959 0.07 490.1612549 0.05 490.8331909 0.02 493.8333740 0.09 495.3025513 0.09 498.9987183 0.05 501.4028931 0.11 507.2030640 0.04 515.1669312 0.05 517.0210571 0.13 518.2527466 0.09 519.4694824 0.04 527.0794067 0.03 531.7081909 0.02 533.3002930 100.00 534.3796997 14.42 535.3575439 0.27 536.2396851 0.09 537.4081421 0.04 538.6445923 0.02 542.4204712 0.06 543.5053101 0.15 546.3391724 0.03 547.0972290 0.18 549.2157593 0.15 551.4188232 0.03 560.3518677 0.03 561.3275757 0.73 562.4697876 0.06 563.1970825 0.01 565.4161987 0.01 570.4221191 0.20 571.0733032 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 589.9 Annotation Unknow Peak:m/z Relative Intensity 200.0687103 0.12 216.9331665 0.05 246.9004364 0.16 272.9703064 1.87 274.0180969 1.00 275.0793457 1.11 276.3237915 0.56 277.2829590 0.21 362.2409668 0.08 388.0855713 0.59 389.1066284 0.15 390.0260010 0.37 427.1437988 0.26 428.0990601 0.89 429.0563354 3.29 430.0754395 1.10 431.1234131 0.25 432.1716309 0.10 432.9986572 0.13 448.9689331 0.20 472.9514160 1.07 474.9241333 6.33 476.0054321 1.59 493.5035400 0.11 500.2463989 0.17 541.4828491 0.56 542.8688354 100.00 543.9010620 43.91 544.9426880 0.29 546.0112915 0.09 561.3853149 0.32 562.9557495 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 607.1279 Annotation Unknow Peak:m/z Relative Intensity 180.8063202 0.02 190.8150635 0.02 197.4167938 0.01 214.2904053 0.00 221.0697937 0.01 223.2993164 0.01 225.3545837 0.01 231.2015076 0.05 247.0884094 0.01 266.1364441 0.01 271.2722473 0.01 278.8308716 0.04 283.2196960 0.02 309.2300415 0.03 310.5848389 0.01 312.4084473 0.03 315.3835449 0.03 322.9635925 0.01 328.1925049 0.02 334.8889160 0.01 336.9807129 0.01 342.2046509 0.01 344.0528564 0.66 351.5065308 0.02 359.1407471 100.00 360.0299683 0.01 383.3325806 0.03 401.2963867 0.04 415.0079956 0.01 423.0993042 0.01 425.2574463 0.02 426.2924194 0.03 429.4858398 0.01 436.4985352 0.01 444.5856934 0.02 466.0948486 0.01 467.2103882 0.00 469.2737427 0.00 471.3706665 0.03 477.3316650 0.01 483.8851929 0.01 496.2883301 0.02 521.3229370 0.06 533.2985840 0.01 535.1851196 0.02 547.2964478 0.01 548.4061890 0.02 549.6859741 0.00 551.2472534 0.01 552.4909058 0.01 553.3118286 0.02 561.3488770 0.03 563.1819458 1.07 571.7106323 0.02 574.3964233 0.01 575.1744995 0.01 578.3711548 0.02 579.5429077 0.01 583.8312378 0.06 588.0695190 0.01 589.2597046 0.13 590.4242554 0.01 595.0542603 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 564.3304 Annotation Unknow Peak:m/z Relative Intensity 167.0216370 0.02 204.1026306 0.01 219.9176331 0.08 241.8963318 0.15 255.1342773 0.02 256.5049438 0.02 257.3124390 0.05 269.2388306 0.03 279.3626099 2.12 281.6466980 0.05 285.2392883 0.03 320.2197266 0.03 342.2263184 0.06 363.1859741 0.03 384.1500244 0.05 392.3347168 0.03 409.3574829 0.05 413.5740967 0.04 421.5578613 0.04 449.0229492 0.04 459.4305420 0.04 461.8367310 0.02 468.2563477 0.13 473.3313599 0.11 476.2969971 0.02 477.4641113 0.01 479.2636719 0.02 490.3899536 0.03 491.5746460 0.03 496.3441162 0.04 499.8210449 0.03 504.3707886 100.00 505.2813110 0.42 505.8973999 0.03 507.3319092 0.07 509.2570801 0.02 510.5732422 0.02 517.1689453 0.30 518.4785767 0.07 519.6925049 0.03 522.2836304 0.10 523.6243896 0.02 525.3295288 0.06 526.2048950 0.10 526.8559570 0.02 527.4797974 0.03 528.1005859 0.05 533.7891235 0.04 535.4827271 0.07 544.9052124 0.02 546.5004883 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 158.98 Annotation Unknow Peak:m/z Relative Intensity 70.9347839 0.28 74.8436508 0.07 82.9579468 0.12 87.0412903 0.02 96.8761139 0.21 103.1077728 0.04 110.9682312 0.04 114.8525543 100.00 115.7090607 0.02 130.8649445 6.24 133.0528412 0.07 140.9903107 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 611.26 Annotation Unknow Peak:m/z Relative Intensity 171.1792603 0.05 185.2514496 0.15 189.0953369 1.75 207.2334290 4.20 209.3016663 0.07 233.3250122 0.74 251.1299438 63.18 269.2110291 2.82 275.2722473 0.14 287.2297974 0.03 289.2308960 0.13 305.2396851 0.11 306.3898926 0.06 307.3493042 0.10 311.3756714 0.24 315.3865356 0.07 317.1822510 0.04 323.3960571 0.04 343.4597778 0.06 361.1957397 0.13 387.3683472 0.33 406.9881592 0.10 413.2990723 0.44 425.1434937 0.05 431.2400513 100.00 431.8417969 0.45 435.3943481 0.21 440.2460327 0.18 445.3030396 0.10 449.3122559 6.44 449.9883423 0.08 461.3356323 0.09 469.4011230 0.13 479.2624512 0.06 490.3515015 0.05 491.3331909 0.24 520.9752808 0.04 551.3711548 0.26 566.5120850 0.18 567.3187256 0.04 593.5883179 0.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 687.3591 Annotation Unknow Peak:m/z Relative Intensity 210.9063110 0.40 211.9983215 0.22 229.2936096 0.25 239.0519257 0.11 257.9964294 0.20 286.0291138 0.34 288.9244385 0.12 294.4257812 0.18 295.0781555 0.17 302.0658569 0.55 303.1956787 0.35 314.3386230 0.14 323.3161621 0.19 330.0939941 0.19 330.9108887 0.19 332.0820312 0.69 333.1266479 0.13 342.0763550 0.30 345.3176880 0.25 346.2886963 4.61 347.3097534 1.70 348.2849121 1.54 361.1223145 10.10 362.1368408 6.58 363.0238647 4.12 364.5213013 0.29 389.2438354 0.37 403.0669556 0.77 406.1138916 0.76 412.7215576 0.30 417.3479614 0.48 444.2790527 0.09 449.0954590 0.07 477.3259277 0.33 481.7784424 0.13 489.2519531 0.39 507.2979126 41.03 507.9566650 0.40 509.8016968 0.16 524.9619141 0.09 553.4383545 0.61 564.4264526 0.85 565.5967407 0.20 566.3663940 0.39 568.2262573 0.09 587.4232178 0.25 596.3738403 0.68 597.3099365 0.93 597.9170532 0.35 599.2565918 0.42 622.4176025 0.66 623.5938721 0.31 626.2358398 0.10 639.4851685 0.33 640.4974365 9.47 641.4985962 100.00 643.7048950 0.22 655.5006714 0.42 657.2984009 0.64 658.1543579 0.25 667.9988403 2.14 669.1422729 0.90 671.1671143 0.17 672.3764038 0.68 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 801.2087 Annotation Brassicoside Peak:m/z Relative Intensity 231.0584564 0.08 235.2163086 0.29 241.1819763 0.80 242.0971375 0.10 243.2544556 0.63 244.4625244 0.22 253.0095825 0.83 257.8196716 4.38 258.7374878 0.80 259.3532715 0.94 263.2587280 0.16 264.8657227 0.44 267.2346802 0.61 268.4796143 0.29 269.1927795 0.50 270.0617065 0.50 271.1901855 0.66 273.0191956 1.72 274.2951660 0.20 276.6696777 0.20 283.2733765 0.11 284.1836243 0.12 285.0682983 0.84 286.2026367 4.10 287.1257324 10.97 288.1810303 0.53 291.7337646 0.42 293.0659790 0.37 294.3244629 0.17 295.0742188 0.83 296.1731567 0.47 297.3478699 0.55 298.3331299 0.25 299.1247559 1.24 299.9410400 0.89 301.0581665 4.68 302.1677551 11.10 306.4621582 0.21 309.2159424 0.17 310.5213013 0.67 311.1901550 0.39 313.1121826 0.48 314.0621338 3.23 315.1406555 7.97 316.1605835 2.16 317.2003174 4.61 323.3973999 0.30 324.2916260 0.21 325.1654358 1.03 326.2127380 0.97 327.2897339 2.92 329.1585388 23.69 330.1946106 31.16 331.3047791 0.78 339.1441650 1.62 340.0301514 0.29 341.2077026 2.80 342.0801392 1.59 343.0867310 2.69 344.1226807 39.46 345.1409607 100.00 345.9027100 0.56 349.0467529 0.23 350.3931580 0.09 351.1984863 0.22 354.0822144 0.62 355.3096924 0.20 356.4618225 0.63 357.2017822 0.40 358.1052551 1.32 365.1255493 0.08 368.2387085 0.90 369.2071533 6.27 370.0577393 1.41 370.9898376 0.86 372.1830444 1.81 373.1129150 0.25 381.2224731 1.61 383.0071411 0.09 384.3380127 0.31 385.1840820 0.80 386.2326660 2.25 387.2158203 27.84 388.0905762 0.18 394.0565186 0.14 395.3061523 0.35 396.1222534 1.22 397.4779053 0.27 399.2589722 1.72 402.3535156 0.29 411.1626587 0.14 414.2099609 0.33 417.3066406 3.18 420.4802246 0.65 427.4840088 0.50 429.3195801 0.60 437.4160156 0.81 438.1416626 0.43 441.5607300 0.73 453.2138062 7.04 455.3707886 0.30 459.3981934 1.25 470.2616577 0.37 471.1675415 0.14 474.9311523 0.46 487.3700562 0.29 489.7699585 0.15 491.1370239 4.19 492.9733887 0.26 504.1268311 1.29 505.2699585 0.21 519.2258301 3.03 519.8631592 0.25 532.8030396 0.12 549.4143066 0.35 559.3184204 0.12 565.8945923 0.32 575.7168579 0.42 579.3391724 0.65 583.3682251 0.17 588.8543091 0.99 592.3310547 0.56 593.0886841 0.43 605.5144653 0.33 606.9063110 0.16 607.8890381 0.83 609.2450562 0.43 615.2465820 0.23 621.2402344 1.34 623.3506470 0.58 625.4508667 0.63 633.4614258 0.28 636.4304199 1.63 637.4199829 2.26 638.2024536 0.92 639.1541138 6.73 651.1992188 74.03 652.3131714 0.77 653.1457520 0.13 655.0579224 2.42 655.7490845 0.12 667.1878052 0.20 669.2918091 44.66 669.9267578 0.15 681.5706787 0.60 687.4638062 0.44 696.2942505 0.26 711.1242065 0.63 725.1869507 0.32 741.3695679 1.52 742.4887695 0.11 750.2917480 0.71 751.3904419 0.16 754.2577515 0.26 755.5427856 0.68 757.2658081 0.66 758.3261719 0.72 769.2598267 29.36 770.3883667 6.20 771.3372803 0.40 773.0956421 0.12 783.4891968 0.57 786.3845825 18.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 386.9391 Annotation Unknow Peak:m/z Relative Intensity 158.8327942 0.47 229.0662537 0.28 245.1874695 0.03 271.0207520 0.15 272.9965820 100.00 313.1772461 0.03 331.0649414 0.02 340.2225342 0.18 343.1299438 0.01 357.0115356 0.02 358.0956421 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1139.309 Annotation Tenuiphenone B Peak:m/z Relative Intensity 316.2001953 0.02 329.0945435 0.35 330.1390381 0.20 330.8552856 0.09 332.1744385 0.02 335.4021606 0.14 340.3085327 0.08 343.1022949 0.15 344.5714111 0.78 345.2914429 0.86 346.3381042 0.15 353.1646729 0.14 354.3373718 0.02 359.4058838 0.19 362.0745239 0.07 367.3582153 0.02 368.1431885 0.12 369.1229553 0.03 372.3252869 0.34 378.9337463 0.09 381.0774536 0.05 382.9344177 0.02 387.2522888 0.33 388.1721802 0.17 394.9554443 0.04 397.3905029 0.10 398.3421631 0.09 400.0695496 0.08 401.2948303 0.02 411.0964661 0.08 421.4595337 0.06 426.2291565 0.11 427.1332703 0.04 429.4069824 0.09 437.3505859 0.09 439.3457642 0.04 449.2679443 0.19 453.2382507 0.18 454.2925110 0.10 455.2088623 0.24 462.0910645 0.07 467.3357544 0.05 469.2444153 0.28 472.3764954 0.05 473.2190247 0.12 481.4740295 0.04 485.3171387 0.08 488.5717163 0.09 489.2718506 0.03 492.3006592 0.03 497.0758362 0.15 509.4657898 0.10 511.3038635 0.03 515.5903320 0.05 527.3320312 0.12 531.7095337 0.04 532.3974609 0.02 541.2502441 0.05 569.4649658 0.06 573.2366943 0.13 599.2963867 0.10 600.4921875 0.06 614.1883545 0.03 617.4339600 0.29 618.1813965 0.21 618.9471436 0.07 623.2264404 0.03 626.0864258 0.12 631.3873291 0.05 632.2203979 0.08 633.0378418 0.15 634.1890869 0.10 635.7768555 0.04 637.5611572 0.06 639.5402832 0.03 651.3063965 1.07 652.5292969 0.45 653.5728760 0.20 654.4002075 0.03 655.5586548 0.06 664.2171631 0.02 665.4860840 0.03 667.3421631 0.07 668.1361694 0.12 669.2794189 0.54 670.4591064 0.32 681.3698730 0.36 683.5428467 0.19 684.2384033 0.06 694.3583984 0.03 696.2943115 0.22 703.5477295 0.07 705.3298340 0.02 723.3236084 0.07 737.3333130 0.13 754.9238281 0.07 766.6463623 0.09 770.5284424 0.04 778.2147217 0.05 779.4154053 1.69 780.4174194 0.41 781.2529297 0.07 783.4295044 0.41 784.4597778 0.36 787.5186768 0.11 788.6091309 0.12 793.3465576 1.34 794.2813721 0.79 795.7156982 0.07 798.5063477 0.28 801.2706299 1.10 802.3969727 0.37 812.3537598 0.09 814.4094238 0.17 815.3302002 0.18 818.3154297 0.15 821.2342529 0.03 826.7497559 0.03 827.3811035 0.50 828.3299561 0.07 831.2802734 0.19 843.5189209 0.05 845.4067383 1.37 846.6225586 0.08 855.5811768 0.10 857.4582520 0.07 859.1389160 0.08 860.4471436 0.14 874.6446533 0.12 896.4924316 0.04 910.6102295 0.10 913.1694336 0.02 913.7733154 0.05 915.2999268 0.03 920.6632080 0.09 931.1481934 1.28 931.7578125 0.01 932.4049072 0.28 945.3416748 33.75 946.4368896 13.21 948.4051514 0.39 949.3591309 0.26 959.3928223 1.63 960.3372803 0.25 963.3333740 100.00 964.3178711 35.75 965.0139160 0.05 977.2755127 20.90 978.3314209 8.04 989.3195801 0.52 990.3077393 0.11 991.4995117 0.04 1004.3498540 0.10 1016.1478270 0.03 1019.3884280 0.03 1020.2768550 0.29 1052.3964840 0.14 1065.3945310 0.02 1079.3054200 0.03 1080.7172850 0.04 1095.5167240 0.09 1107.2191160 0.97 1108.4035640 0.33 1117.7091060 0.03 1121.0657960 0.10 1122.6081540 0.03 1124.2484130 2.15 1125.2489010 0.91 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 345.062 Annotation 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone Peak:m/z Relative Intensity 165.8913574 0.01 181.0411377 0.03 193.9188232 0.03 203.1920166 0.00 209.1126556 0.06 225.2957458 0.01 227.3009644 0.00 231.1118164 0.03 241.3704834 0.01 245.2965393 0.00 246.1922913 0.01 257.1535645 0.01 258.1811523 0.02 259.0260315 0.01 269.2695618 0.02 270.0753784 0.00 271.2362671 0.01 273.2278442 0.01 285.2133789 0.01 286.2868347 0.08 298.2225342 0.01 301.1993408 0.07 302.1595764 0.04 303.3262024 0.01 312.3138123 0.04 313.2177124 0.01 315.2395630 0.10 327.2177124 0.03 330.1339722 100.00 331.0781555 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 303.0909 Annotation Unknow Peak:m/z Relative Intensity 96.8999329 100.00 123.0460510 0.08 151.2966003 0.12 162.9817505 0.30 188.0871429 0.21 195.2561035 0.41 228.3408508 0.07 241.2314148 0.56 258.5356445 0.22 259.3356018 0.15 267.2000732 0.51 285.2364807 0.80 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 718.3052 Annotation Unknow Peak:m/z Relative Intensity 252.8371582 0.12 271.2090454 0.36 273.2550354 0.20 285.2717285 0.90 289.2116089 0.60 307.2695312 0.31 349.0963745 0.29 367.2030640 0.21 404.5573730 1.72 423.5228882 0.31 435.2243042 8.73 436.3611450 0.46 439.4573364 2.55 440.5702515 0.43 453.6295166 0.15 476.0159912 0.05 477.7135620 0.17 541.2297363 0.36 549.4763184 0.45 550.3436279 0.65 571.5493774 0.12 579.4268799 0.56 598.2918091 0.24 604.6531372 0.09 607.2517090 0.75 616.5521851 4.05 617.2632446 0.18 622.5050659 6.61 627.2821655 0.16 631.5227661 27.14 633.8305054 0.06 637.4310303 1.36 643.2994385 0.27 652.2634888 3.27 652.9149780 1.39 668.9828491 0.12 670.9885254 0.16 673.4443359 0.60 679.3765869 1.22 679.9778442 0.14 688.3917847 44.17 689.0271606 9.85 690.2195435 0.31 694.2894287 0.15 697.4915161 100.00 698.5798950 0.62 729.0687866 0.65 747.3192749 0.10 789.3068848 0.56 809.4060669 9.57 810.5991821 2.01 851.6599121 0.68 852.5416870 0.67 873.3191528 0.40 874.0380859 0.30 894.1060181 0.48 895.3632812 0.39 896.7655640 0.21 900.0587769 0.13 906.3218384 0.15 934.8482056 0.13 938.3265991 0.12 941.7236938 0.39 1007.6727910 1.17 1008.4445190 0.08 1025.4775390 3.12 1026.2113040 0.26 1065.5598140 0.07 1067.4144290 10.33 1068.3134770 2.30 1087.5496830 0.31 1099.4604490 0.09 1117.2753910 0.12 1118.8177490 0.29 1129.6479490 1.45 1130.6092530 0.09 1197.6713870 0.23 1216.9018550 0.96 1227.4117430 0.08 1229.4201660 0.28 1230.3685300 0.06 1233.4168700 0.08 1245.5794680 0.49 1246.5781250 0.08 1257.4672850 0.19 1258.3995360 0.32 1287.6143800 0.08 1288.5898440 0.49 1377.8284910 1.21 1378.7490230 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 687.3588 Annotation Unknow Peak:m/z Relative Intensity 235.3623962 0.04 322.9854431 0.06 325.1395874 0.01 333.2609253 0.01 347.0662842 0.02 349.1592407 0.04 356.3414307 0.01 363.0978394 0.01 432.2144775 0.01 455.1923218 0.01 461.4218750 0.05 462.8120728 0.02 465.4497070 0.05 469.1697388 0.01 479.5760498 0.18 481.3949585 0.23 507.2661133 0.05 509.2271118 0.04 510.7090454 0.02 511.3986206 0.08 512.6006470 0.02 537.6882935 0.00 555.5228882 0.01 566.4266968 0.05 589.6047974 0.04 599.9827271 0.04 600.8052979 0.02 601.4958496 0.02 611.3510132 0.03 623.4677124 0.22 624.6751099 0.02 627.9464722 0.01 639.9448853 0.01 641.4309692 100.00 642.5307007 1.27 643.2412720 0.02 654.8554077 0.08 655.6605835 0.17 656.5321655 0.07 669.3227539 0.02 670.3654785 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 892.71 Annotation Unknow Peak:m/z Relative Intensity 285.6121216 0.10 289.0750427 1.20 290.0936890 0.30 290.6999207 0.06 300.1457825 0.13 301.0941467 0.48 331.7127686 1.03 332.3336182 0.25 360.0421753 4.39 361.1473999 0.61 362.0733337 0.15 362.8638000 0.25 367.3912964 0.14 371.2037659 0.20 387.9235840 0.20 393.9404297 0.16 396.8177490 0.83 400.9533081 0.41 407.9097290 0.31 413.2062378 0.21 414.4699707 0.20 422.2148438 0.08 426.1621704 0.48 427.1204224 0.07 427.8901978 0.67 445.2246704 0.19 455.0733032 0.21 464.7858276 0.35 468.5836792 0.49 470.6840210 0.11 473.0855713 1.12 475.1295166 0.44 491.8182373 0.35 513.2798462 0.11 515.1812744 0.30 519.2487183 0.09 521.1633911 0.31 539.9846802 0.11 555.3295288 0.09 556.5344238 0.08 558.1330566 0.07 561.1229248 0.06 576.2535400 0.53 581.3480835 0.28 583.4941406 0.30 599.9038696 0.07 607.3996582 0.18 610.7763062 0.06 612.1146851 0.60 614.2870483 0.14 615.3777466 0.11 619.9943848 1.11 620.8325806 0.68 632.2330322 0.04 645.6988525 0.43 653.2203979 2.72 661.6167603 0.26 662.2413940 0.13 663.5087280 0.70 665.0131226 0.07 668.4487915 0.59 669.3882446 0.47 684.0994263 0.31 685.5891724 0.39 689.5151978 1.33 693.8569336 0.08 698.0892334 0.18 700.6275024 0.26 701.4270020 0.09 707.4938354 0.56 712.4028320 0.15 713.5288086 0.22 715.0637817 0.42 719.5006714 0.52 721.6945801 0.79 724.3176270 0.57 726.2825928 0.71 731.1467896 0.26 736.1735229 0.15 738.4536743 0.54 739.0966187 0.06 741.9421997 1.88 742.9058228 0.48 744.5451050 0.48 747.6438599 3.29 748.2610474 3.58 748.8751831 0.69 749.8477783 0.81 760.2254028 1.25 764.8262329 1.86 765.5381470 0.08 767.5103760 0.57 773.1969604 0.38 774.3696289 1.67 775.1636353 0.26 777.2503052 1.15 778.5874634 0.22 780.9466553 0.86 781.6929321 0.56 792.0534668 0.18 797.5173950 0.76 799.0371094 0.23 801.6133423 0.08 805.0283203 0.91 808.0910034 0.90 809.0049438 0.37 812.2412720 0.15 814.8022461 2.17 816.4168091 0.75 818.1067505 3.82 819.7707520 1.28 820.4367065 0.12 821.6645508 0.21 823.0177002 0.54 824.5834351 1.27 825.2793579 0.64 831.7984009 0.23 832.5447388 0.22 833.7671509 4.42 836.8969116 1.01 837.6331787 3.30 838.4830933 0.12 839.2752075 1.50 839.8779297 0.31 840.6782227 0.75 843.6000366 0.26 844.6116333 0.70 845.5911255 0.64 847.7611694 8.11 848.4162598 1.63 849.0431519 0.21 850.5540771 0.21 852.1657715 0.59 852.9541626 1.17 853.6813354 0.30 854.8411865 2.88 856.7492065 5.00 857.7301025 2.56 858.3990479 0.10 859.1148071 0.13 860.7979126 2.71 861.4494019 1.54 862.4114380 1.31 864.8563843 5.00 866.8802490 2.47 868.9581909 9.74 870.6463013 5.07 871.3135376 36.52 872.3647461 2.79 873.5897827 2.34 874.5628052 1.71 875.2296753 0.53 876.5999146 7.99 879.1651001 0.73 881.2304077 6.12 881.9205933 0.94 883.6289673 0.31 891.6028442 0.08 897.4885864 1.30 900.2008667 0.32 900.9766846 0.87 902.9244385 0.56 906.7819214 0.39 907.7484741 0.43 909.6342163 2.36 910.6386719 0.59 912.1804810 0.68 913.7006226 0.24 914.5209351 0.35 915.8746948 2.15 917.3306274 2.47 918.0977173 0.88 919.0874634 2.28 919.8648071 2.09 920.6957397 2.48 921.6552734 0.61 924.6035767 0.36 925.5356445 0.78 926.7207642 0.37 929.6063843 0.10 930.4265747 0.78 931.3190308 1.74 932.1957397 0.46 932.9122925 0.05 933.8246460 4.22 934.6166382 1.56 936.1779175 8.25 936.9212036 3.52 937.5261230 1.66 938.4462280 0.67 939.4216309 0.77 941.2983398 1.98 942.0571899 0.69 943.4770508 1.66 945.1853027 2.79 947.6054077 6.00 948.7258911 1.12 949.4880981 1.26 950.2404175 21.44 950.9932251 1.80 952.6890259 100.00 953.8577271 5.86 954.7145996 1.51 955.8967285 4.45 956.7712402 2.61 957.4771118 2.88 958.3500366 0.90 959.3689575 3.01 960.9810181 10.94 961.6833496 2.20 962.3344116 1.56 963.1835327 2.37 964.0524292 4.99 964.9342651 0.41 966.3843384 15.76 967.0752563 1.58 968.8445435 71.91 969.7305298 3.87 970.8705444 0.74 972.4360352 0.22 973.9968872 1.29 975.2016602 0.93 976.3049927 6.34 977.2204590 2.43 979.1023560 29.35 980.4636841 1.89 981.3467407 0.77 983.3747559 0.25 984.5856323 0.27 985.5227051 0.58 986.7126465 2.16 987.3392944 0.20 988.0707397 3.23 989.4541626 1.44 990.0678101 0.89 990.7075195 1.89 992.7993164 14.72 993.6728516 2.36 995.3827515 62.46 996.5075073 4.83 997.2340698 2.99 998.7911987 0.82 999.4701538 1.78 1001.3106080 2.05 1002.2290040 2.22 1003.6193850 1.23 1006.7934570 2.90 1007.6596070 1.27 1009.7432250 0.48 1011.6284790 1.78 1013.1321410 0.86 1014.4096070 2.00 1016.2243650 0.60 1017.1615600 1.30 1018.8950810 3.87 1020.2678220 0.52 1023.9484860 0.35 1024.6569820 0.16 1025.6623540 0.61 1027.0062260 0.36 1028.0803220 2.80 1029.2618410 1.53 1030.8928220 2.97 1031.8533940 0.27 1032.6147460 0.18 1033.7423100 0.13 1034.6752930 0.26 1035.9826660 0.74 1036.9392090 1.74 1038.2158200 1.56 1038.8220210 0.61 1039.5991210 0.15 1041.0808110 2.52 1042.2851560 1.13 1043.2500000 0.26 1045.3542480 0.63 1046.5881350 4.14 1047.2150880 1.08 1048.7465820 1.61 1049.3955080 1.06 1050.2163090 0.40 1052.2924800 2.25 1053.1450200 1.68 1054.1221920 0.25 1055.5122070 1.80 1057.1838380 0.39 1058.5186770 3.61 1060.2673340 0.06 1061.1639400 5.16 1062.6583250 1.82 1063.3698730 0.88 1064.5246580 0.27 1068.0008540 2.34 1068.8999020 0.21 1070.5432130 1.22 1071.4923100 1.39 1077.3651120 0.40 1078.9611820 1.06 1081.2541500 1.39 1082.1080320 0.33 1082.7172850 0.55 1083.7270510 1.61 1084.8361820 1.81 1086.1756590 1.15 1088.6253660 1.14 1091.2636720 1.55 1092.4719240 1.31 1093.4282230 0.84 1095.7349850 1.71 1099.6020510 0.31 1102.6105960 0.91 1104.8791500 2.76 1105.8699950 4.04 1106.5775150 1.65 1108.2813720 0.30 1108.9311520 1.10 1109.7788090 0.49 1111.7834470 0.97 1113.6098630 0.29 1116.9512940 0.29 1118.3630370 0.87 1122.0137940 0.14 1123.4226070 0.28 1124.8139650 0.15 1127.7392580 0.15 1130.8624270 0.41 1132.9011230 0.15 1134.4929200 1.42 1136.6767580 2.90 1138.3483890 0.29 1139.4483640 0.74 1140.4624020 1.21 1142.8363040 0.33 1147.9179690 0.43 1148.9719240 0.91 1152.1159670 0.85 1152.8833010 0.54 1158.2192380 0.27 1159.3901370 0.11 1162.5992430 1.68 1169.5886230 0.79 1171.8371580 1.90 1175.3557130 0.54 1176.8728030 0.39 1177.9768070 0.52 1181.2836910 1.27 1182.3432620 0.34 1187.6623540 0.41 1192.0979000 0.32 1193.7929690 1.64 1196.3759770 0.36 1197.6069340 2.42 1198.3227540 1.37 1203.9626460 0.19 1204.8037110 0.04 1205.4291990 0.07 1207.0163570 0.86 1207.7846680 0.70 1213.7541500 0.58 1221.8686520 0.27 1228.3463130 0.37 1230.8826900 1.12 1232.0452880 0.97 1235.8420410 1.39 1239.7563480 0.07 1241.5527340 0.11 1242.7806400 0.26 1246.4184570 0.12 1252.7750240 0.76 1255.6572270 0.29 1263.7506100 0.12 1264.9980470 0.78 1280.0445560 0.42 1280.9989010 1.12 1296.2867430 0.26 1299.5899660 0.37 1305.0632320 0.40 1316.7130130 0.41 1326.7966310 0.15 1342.7858890 0.13 1346.0556640 0.35 1349.8695070 0.26 1388.5433350 0.20 1389.3853760 0.43 1403.1478270 0.77 1447.1634520 0.11 1449.9561770 0.09 1464.8822020 0.22 1466.3609620 0.06 1481.1019290 0.07 1493.2200930 0.28 1496.4310300 0.41 1505.8510740 0.06 1568.7813720 0.18 1583.7141110 0.11 1591.7144780 0.21 1594.0115970 0.40 1600.8065190 0.53 1670.6901860 0.06 1685.8907470 0.34 1725.4562990 1.03 1762.1246340 0.50 1944.9774170 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 645.2068 Annotation Unknow Peak:m/z Relative Intensity 217.4321594 0.05 243.1040955 0.02 255.0044250 0.29 257.0605164 0.01 307.0115967 0.05 416.3564453 0.04 417.1952515 0.04 437.5015259 0.02 438.4758301 0.02 441.0872192 0.07 443.8168945 0.06 462.0665894 0.03 465.0397339 0.07 467.4032593 0.04 469.2630005 100.00 482.3848267 0.05 489.9690552 0.02 547.4461670 0.07 558.1734619 0.02 562.3352051 0.02 563.3627319 0.05 565.3982544 18.45 581.1779785 0.06 583.5608521 0.02 586.1712036 0.04 598.3959961 0.03 599.4445190 0.04 600.3899536 0.14 601.3825073 0.22 614.3782959 0.11 626.3913574 0.19 627.2874146 0.12 627.8901978 0.03 629.0042725 0.06 630.6401978 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 569.2004 Annotation Unknow Peak:m/z Relative Intensity 192.1707764 0.09 200.1469727 0.05 220.3223267 0.12 222.9006653 0.04 231.0861969 0.30 233.1569366 0.43 240.1812286 0.19 241.2146606 0.09 248.0466309 0.11 251.0991211 0.27 253.4402161 0.24 262.9483643 0.12 267.2393799 0.17 281.1645508 0.15 311.2717285 0.06 319.0753174 0.10 355.4406738 0.11 356.3983765 0.31 365.5563354 0.06 368.2000122 0.07 375.5507812 0.05 387.3086548 0.15 388.2752686 0.22 389.4077759 0.22 391.2113647 0.14 393.5352173 0.26 415.2509766 0.24 417.3156128 0.19 420.2478027 0.22 427.3269653 0.09 433.0248413 0.32 447.3919678 0.40 450.2752686 0.08 453.2979736 0.10 455.1715088 0.34 457.3592529 0.55 462.5468140 0.19 465.1633911 0.18 466.1079102 0.05 471.2197266 0.10 471.8481445 0.06 475.2764893 100.00 478.3043823 0.06 479.0214844 0.05 485.2690430 0.04 490.3063354 0.06 491.4403687 0.90 493.0137329 0.06 493.7025757 0.06 495.5847778 0.13 497.2787476 9.29 502.2572632 0.10 506.5561523 0.07 507.2883911 0.10 509.1458130 0.07 510.5801392 0.29 515.3648682 12.37 521.2360229 0.12 523.2758179 0.15 525.4148560 0.31 533.2741089 17.97 537.0615234 0.09 539.5270386 0.05 546.1504517 0.20 551.1443481 0.70 552.4531860 0.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 591.2291 Annotation Ligurobustoside M Peak:m/z Relative Intensity 179.1419373 1.15 185.2705688 0.26 187.1276550 1.17 205.1675720 4.65 215.1472473 0.21 217.1645660 0.11 223.1248169 0.18 229.1300354 2.78 231.1175232 0.04 241.2294312 0.61 246.8415833 0.29 247.4426270 0.03 249.2328949 11.47 255.2410278 0.07 259.2921143 0.47 266.9737549 0.34 271.3935852 0.15 273.1313477 0.62 277.1542358 0.19 285.1342163 0.05 288.8389282 0.16 291.2047729 0.72 295.0211792 0.11 303.1471558 0.18 307.4141541 0.10 315.1820068 0.28 321.1062622 1.70 325.2640991 0.05 335.0382690 0.23 346.8845825 0.15 351.2202148 2.73 357.1437988 0.05 365.4328003 0.12 378.1738892 0.05 385.2068481 5.38 387.2274170 0.08 393.3673706 0.59 397.2418823 0.23 411.2088623 20.57 415.4221802 0.06 417.5897217 0.18 429.2392578 100.00 429.8577881 0.46 443.6058960 0.05 452.7276611 0.53 453.3990479 0.27 471.1491699 1.84 479.6914673 0.05 483.3021851 0.94 501.1460571 15.49 507.5239868 0.10 513.3187866 0.76 525.0238647 0.12 527.3139038 0.31 529.2973633 0.23 531.2990112 55.75 545.4086304 0.34 546.9262695 0.39 547.5296631 0.41 554.9819336 0.27 561.3179932 1.40 562.2221069 0.24 573.2617798 3.60 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1365.59 Annotation Unknow Peak:m/z Relative Intensity 409.4227905 0.08 423.2378845 0.21 425.3969727 0.15 437.5639038 0.35 439.3799744 0.22 457.5953064 0.14 483.5646362 0.44 501.4409180 2.57 523.2554321 0.25 525.4381104 0.04 543.3317871 0.95 585.6892700 0.10 609.3985596 0.03 629.8450317 0.11 669.2008057 0.25 719.3881226 0.16 759.4576416 0.20 779.5700684 0.12 809.5344238 1.10 895.9639893 0.06 907.5521240 0.30 925.3609619 0.56 995.5551758 0.12 1039.8081050 0.06 1057.5751950 100.00 1058.5343020 0.11 1071.3652340 0.06 1131.9547120 0.07 1132.7399900 0.08 1153.3710940 0.17 1197.5458980 0.08 1215.7062990 0.17 1233.6007080 0.86 1234.5111080 1.05 1243.6682130 0.05 1261.5460210 0.06 1303.7421880 0.10 1320.9091800 0.08 1347.5627440 0.39 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 78.90211487 0.16 88.97047424 0.45 91.77373505 0.38 92.96769714 0.30 94.8379364 2.87 96.991745 0.71 98.93312073 0.35 103.0798035 2.47 104.8542633 2.99 106.8219299 0.99 109.1048126 1.53 112.9161835 1.40 118.840744 0.97 121.0002899 1.34 123.0875549 1.34 125.8842621 0.28 126.9660797 2.01 129.0209351 8.62 130.2553711 0.82 132.9749298 2.32 135.1389465 1.51 136.8692627 0.54 140.96138 2.11 143.2039948 0.47 146.3931427 0.44 147.0547943 1.43 151.0173187 83.21 151.9758453 2.07 153.1113281 0.47 155.3215637 0.39 157.0834808 0.26 159.122757 0.20 161.1015472 0.51 165.1052094 1.57 166.0242157 0.32 167.2173004 3.21 168.0227203 0.25 169.1228485 0.86 170.102951 0.95 171.0629578 0.74 173.1453705 0.28 175.1399231 2.11 176.9671783 1.01 179.2142487 1.08 180.2586212 0.22 182.0718079 2.18 183.0260773 2.34 185.1034698 2.02 189.46492 0.28 190.8705902 0.22 193.3255615 0.97 194.1708527 0.23 195.1752167 5.54 197.1277313 8.51 198.1437988 0.86 199.2526245 0.62 202.1078949 0.37 205.1310883 0.38 207.1016541 4.56 208.2123108 1.09 209.0727234 1.64 210.1655273 1.63 211.2293091 3.02 217.1233978 4.39 221.2028046 1.38 223.5831757 1.59 225.0935516 21.48 235.2433624 24.20 237.2717743 2.33 238.1081085 9.36 239.1878052 2.58 239.9914398 1.14 242.0527344 0.42 251.2214966 0.32 252.0296021 0.22 253.0840607 100.00 254.2780304 1.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 431.1925 Annotation Unknow Peak:m/z Relative Intensity 142.8627014 0.03 161.1105652 0.02 163.1329346 0.65 171.1557007 0.20 173.1311188 0.08 179.2698669 0.03 181.1680298 0.05 184.7959595 0.02 187.1693726 0.04 189.2162476 4.02 192.2786255 0.03 203.3668060 0.06 205.2160492 0.04 207.1972656 7.20 209.4160614 0.24 225.3035736 0.03 231.2011414 0.24 233.1761475 2.49 249.0677185 0.20 251.1360168 100.00 251.9988403 0.05 253.0805359 0.10 267.2318115 0.14 269.1936951 7.05 273.3322144 0.05 274.7417908 0.09 284.6919556 0.20 287.4118652 0.06 291.5752869 0.07 295.3383179 0.03 297.4309082 0.16 304.0747681 0.06 305.2236023 0.05 308.3399658 0.05 311.2602539 0.13 315.0996094 0.05 323.0572510 0.12 331.3901978 0.08 335.2192383 0.06 341.1137085 0.59 343.2964478 0.51 348.6615601 0.03 350.4536133 0.15 353.1661682 0.68 359.5729675 0.09 369.5404358 0.03 370.3102112 0.02 371.3155823 1.49 373.4082642 0.12 377.1957092 0.10 385.3902893 0.16 386.7266541 0.08 387.7305298 0.14 388.5977173 0.09 395.1187439 0.07 398.5685425 0.10 399.2735901 0.06 401.4954529 0.05 410.9398193 0.04 411.6886292 0.05 413.2525940 1.50 416.2066650 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 569.3331 Annotation Unknow Peak:m/z Relative Intensity 203.0892944 0.06 209.2802429 0.02 251.3030701 0.04 272.8770142 0.03 299.0746765 0.06 307.1875610 0.03 312.9805298 0.01 343.3901367 0.03 344.3330688 0.02 373.3843384 0.06 389.4345093 0.02 391.5097656 0.06 393.4578247 0.01 401.1939087 0.10 405.3887329 0.02 407.4518433 0.02 408.3675537 0.02 423.3087769 0.06 434.2241821 0.02 436.6978149 0.01 447.1147461 0.01 454.6596680 0.04 465.3415527 2.17 475.5218506 0.03 482.4066162 0.03 489.2302856 0.05 492.8660889 0.06 493.7258911 0.02 503.6895142 0.03 505.4448242 0.80 509.4836426 0.02 520.2152710 0.02 523.3847046 100.00 524.4237671 0.09 525.3881836 0.17 536.2714844 0.04 537.4054565 0.02 538.8370972 0.09 539.5484009 0.05 541.2988281 0.40 548.4236450 0.01 550.3316040 0.01 551.2609253 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 563.26 Annotation Hemin Peak:m/z Relative Intensity 167.0077057 0.08 168.2739563 0.04 175.0628662 0.07 177.0810547 0.09 195.0399780 0.21 196.2577972 0.05 201.1641388 0.07 204.1262207 0.03 209.7814484 0.08 215.0543823 0.05 224.8664246 0.15 230.9060059 0.14 233.0570374 0.08 235.3269501 0.13 241.2157288 0.09 253.2396393 0.09 255.0561523 0.02 259.2735596 0.06 267.3777466 0.03 269.2703857 0.23 271.3528442 0.02 273.2368164 0.07 274.3780518 0.20 277.4877930 0.16 279.1670532 0.06 281.2688599 0.11 282.4835815 0.10 284.4648438 0.09 286.1400757 0.03 291.2614136 0.10 293.2073364 0.14 294.6550293 0.06 298.3800659 0.08 299.3137817 0.03 302.7477417 0.10 303.6365356 0.10 304.3381348 0.08 306.3164062 0.03 307.5482483 0.15 309.3768311 0.08 310.4650269 0.56 312.2161255 0.11 313.1063232 0.08 319.5245361 0.08 322.4863281 0.17 323.3662720 0.34 325.4110718 0.03 329.4058228 0.10 330.5777588 0.09 337.5508423 0.12 338.2229004 0.11 340.0524902 0.33 343.3934937 0.04 351.3129883 0.07 355.6440430 0.08 361.2279053 0.10 366.3662720 0.33 369.0623169 0.13 371.3677979 0.04 377.3060913 0.09 381.1499023 0.19 391.3916626 0.10 395.3139038 0.30 397.4821167 0.29 398.3953857 0.13 400.4722900 0.05 401.4101562 0.09 402.1151733 0.07 403.1831055 0.02 405.5437622 0.07 409.3110352 0.19 417.6948242 0.55 424.3273315 0.09 431.2792358 2.58 432.4126587 1.48 433.5299072 0.15 440.0789795 0.05 441.1240234 0.07 442.3802490 0.08 444.2949219 0.09 445.4036255 2.57 446.4431763 2.50 447.2842407 0.14 450.0051880 0.10 455.6539917 0.12 458.4651489 0.28 459.3893433 1.57 460.5054932 0.62 461.6059570 0.15 463.2730103 0.06 465.3559570 0.03 467.3767700 0.08 469.4862061 0.16 471.3765259 0.11 472.4625244 1.64 473.3937988 3.03 474.2285156 0.86 475.2623901 0.57 476.2051392 0.38 477.3414307 0.06 478.3124390 0.12 481.9490356 0.47 483.4743652 0.25 484.4115601 0.10 485.3770752 7.04 486.4570923 1.50 487.5715332 0.25 489.3424072 4.26 490.3573608 20.15 491.3485718 12.64 492.4703979 1.61 495.6992188 0.12 498.3826294 0.09 499.4585571 0.45 500.6126709 0.15 503.3704224 24.82 504.4213257 100.00 505.3671875 41.16 509.1757202 0.13 511.3449097 0.11 513.2788086 0.33 517.1198120 0.64 518.3800659 0.85 519.3348999 0.81 520.5835571 0.22 521.4101562 0.16 527.3718872 1.46 528.5891113 0.17 529.4982300 0.10 530.4869385 0.02 531.4664917 0.27 533.4101562 0.07 534.2916870 0.09 535.3013916 0.34 536.5961304 0.10 537.2656860 0.09 545.3817749 47.23 546.4022827 18.24 547.1401978 0.25 548.3245850 6.69 549.3328247 2.18 563.3480835 89.30 564.4525146 6.42 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 520.3386 Annotation PC(18:2(2E,4E)/0:0) Peak:m/z Relative Intensity 165.9306946 0.03 183.9907074 28.27 193.2178345 0.07 205.1110229 0.05 210.9507294 0.08 220.9281464 0.08 225.1309204 0.04 234.5159760 0.05 240.1199341 0.03 243.2836609 0.07 244.9850159 0.04 255.4523163 0.02 258.2208862 0.38 268.0956421 0.12 269.1444092 0.04 280.0739746 0.04 280.9548950 0.16 282.2828369 0.23 289.1171265 0.08 296.7016602 0.08 302.5165405 0.04 309.2052612 0.03 313.2478027 0.03 320.4091187 0.04 327.1638794 0.03 335.6262207 0.15 337.3235474 0.12 345.0932617 2.81 353.1527100 0.10 370.5221558 0.06 377.6804810 0.04 378.9487305 0.08 380.7377930 0.06 387.4350586 0.04 395.3087769 0.02 406.1878052 0.04 419.1807861 0.08 422.4542236 0.05 443.5887451 0.09 446.5272217 0.03 457.5054321 0.07 459.1683960 0.08 461.1250000 0.06 462.7119751 0.07 464.9112549 0.05 472.9948120 0.04 474.2703857 0.06 476.4033813 0.18 477.6602173 0.05 478.7433472 0.10 484.2677612 0.06 492.1291504 0.09 502.4279175 100.00 503.3932495 0.64 519.8582764 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 772.2826 Annotation Unknow Peak:m/z Relative Intensity 251.3269501 0.03 254.0906219 0.16 267.4638672 0.36 269.1939697 0.29 285.5687866 0.14 299.3662415 0.12 310.2743225 0.09 313.2507629 0.07 314.7836304 0.18 323.0881348 0.15 333.0346680 0.12 338.4718018 0.21 339.1865845 0.24 345.3035889 0.16 353.3033447 0.22 360.1466675 0.20 361.4625854 0.11 363.1743774 0.21 366.3301392 0.07 367.2550049 0.05 371.6229248 0.17 377.2532959 0.09 378.4220581 0.20 389.0265503 0.31 411.0355835 0.21 413.2595825 0.24 417.1477661 0.05 418.5729980 0.07 433.1355591 0.18 441.1647949 0.50 443.1224976 0.18 455.3826904 0.04 457.5241699 0.08 459.5001221 0.38 460.3042603 0.04 481.5601196 0.11 485.4546509 0.09 488.5777588 0.55 490.9539185 0.40 499.1622925 0.40 512.4477539 0.11 515.2265625 0.14 521.5310669 0.05 524.5097046 0.15 530.4577026 0.09 535.7911377 0.05 546.1933594 0.27 557.2909546 0.14 564.1479492 0.30 575.1670532 0.14 583.2251587 0.07 592.3794556 0.27 611.8903198 0.36 633.2031860 0.10 638.4410400 0.20 646.3628540 0.14 654.2981567 0.10 655.3341064 0.12 658.6491089 0.17 661.0521851 0.17 666.6488647 0.07 677.6072388 0.39 678.3962402 0.21 679.2305298 0.04 685.1339722 0.30 686.4160156 0.09 687.3481445 0.18 690.8157959 0.38 698.4822998 0.13 699.0905762 0.20 700.4124146 0.14 705.1641235 0.89 708.4282837 0.14 710.7861328 0.70 711.7170410 0.47 716.2084351 0.42 717.8422241 0.15 719.0783691 1.48 719.9080200 0.08 721.9429321 0.42 723.3048096 1.23 724.6828003 1.02 725.8748169 1.10 726.9403076 2.66 730.1273804 3.61 731.7360229 3.86 734.1264038 0.65 736.5946655 1.05 739.3767700 0.73 740.2953491 1.79 741.7115479 0.14 743.8544922 1.37 744.7119751 0.71 745.6898193 1.87 747.1079712 2.81 748.0580444 1.98 749.5885010 1.52 750.3257446 2.51 751.1750488 1.43 752.1367188 1.50 752.7766724 0.59 753.9269409 0.94 754.6670532 5.92 756.5995483 8.65 757.3135986 1.33 758.5025635 4.61 759.3943481 1.81 761.1223755 11.29 762.5722046 0.15 763.8381958 1.82 771.1636963 0.11 773.2312622 0.08 779.6498413 0.12 787.8672485 0.30 794.3611450 0.60 800.9779053 0.08 803.2213135 0.51 810.9087524 0.62 817.5604248 0.74 821.7636108 0.11 822.6517944 0.85 838.0945435 0.42 843.9315186 0.32 846.0830688 0.35 847.1973267 0.83 848.8753052 0.39 850.0046997 1.04 856.5365601 0.44 857.5559692 0.05 859.9773560 0.35 868.2109985 0.24 871.8899536 0.18 874.4425659 0.04 878.8703613 0.98 880.4180298 0.86 886.4631348 0.40 888.2218628 1.09 889.1152954 0.60 890.4478149 2.28 891.1653442 1.02 892.3391113 0.24 893.0142212 0.31 894.5553589 1.63 896.0256348 0.50 896.8067017 0.03 897.4669800 0.56 899.8405762 2.03 900.5802612 3.48 901.4013062 0.49 905.0494995 0.34 906.9931641 0.67 908.6038208 0.47 910.2502441 0.90 915.1819458 0.08 917.4446411 0.34 918.0893555 0.44 919.3022461 1.23 921.8163452 0.76 923.0055542 0.14 924.3493042 0.57 925.1879883 0.05 925.8141479 0.04 926.7994995 0.58 927.5501099 0.34 928.9736328 0.80 929.9462280 0.29 934.1860352 0.38 935.4548340 0.62 936.8527222 1.04 939.2996216 1.43 940.7185669 1.16 941.7186890 0.58 942.5061035 1.11 945.4185181 2.27 946.4832153 1.49 947.8145142 0.37 948.7930298 1.98 949.6586914 0.30 950.3615723 0.15 951.6372070 1.72 952.3156738 0.26 952.9592285 0.75 953.9008179 2.90 954.6278687 2.91 955.3876343 0.44 956.5371704 1.18 958.2480469 1.39 959.4945679 1.42 960.4503784 0.23 961.1953125 1.16 962.4528198 0.11 963.4306641 3.70 964.2731934 0.83 966.0895996 2.83 967.1227417 0.69 967.8718872 1.05 969.0515747 8.15 969.6885376 3.81 971.7045288 0.71 973.3670044 23.05 974.2795410 3.90 975.2518921 100.00 976.3869019 3.44 977.7296753 3.71 978.4962769 1.61 980.3438110 0.68 981.2163086 1.24 982.3178101 2.94 983.0108032 0.92 984.1599121 0.24 985.4396362 0.57 986.9738770 1.81 987.8838501 0.03 988.8432617 0.13 990.2124634 0.14 991.3983765 0.50 992.2261353 1.34 995.7340698 0.86 997.2006836 2.87 1000.6398930 2.67 1001.2426150 0.53 1005.9871220 1.49 1010.5145870 0.85 1023.0637210 0.12 1024.4770510 0.11 1037.8834230 0.19 1043.3342290 0.35 1047.1818850 0.28 1056.5942380 0.24 1077.2589110 0.14 1083.8493650 0.06 1086.9847410 0.57 1097.4074710 0.25 1098.7421880 0.05 1110.6691890 0.03 1112.3483890 0.17 1115.5883790 0.26 1117.3428960 0.26 1119.2186280 0.69 1134.4708250 0.30 1135.8919680 0.04 1160.5144040 0.12 1172.0566410 0.08 1173.3302000 0.05 1178.1536870 0.45 1180.6353760 0.42 1182.5701900 0.08 1187.8380130 0.17 1189.7844240 0.08 1195.6848140 0.77 1196.4185790 0.05 1201.0651860 0.57 1205.5187990 0.19 1213.5867920 0.33 1216.8321530 0.53 1225.1209720 0.31 1228.6998290 0.95 1232.8575440 0.75 1237.0847170 0.34 1240.0288090 0.09 1242.4071040 0.11 1248.0079350 0.34 1250.4252930 0.32 1251.6990970 0.05 1272.3488770 0.26 1276.2888180 0.08 1286.3962400 0.16 1287.6683350 0.31 1289.8710940 0.06 1295.5330810 0.04 1302.6494140 0.26 1322.8946530 0.56 1330.7292480 0.51 1338.3691410 0.54 1340.0421140 0.23 1348.8549800 0.20 1356.6951900 0.29 1370.1146240 0.23 1371.8658450 0.70 1382.9642330 0.24 1389.9515380 0.19 1395.8592530 0.14 1402.3067630 0.17 1416.3769530 0.07 1486.6380620 0.16 1493.3746340 0.08 1535.5426030 0.34 1544.8050540 0.08 1573.4559330 0.10 1580.5125730 0.13 1685.6326900 0.13 1754.9508060 0.31 1766.8123780 0.39 1783.9034420 0.05 1816.7127690 0.06 1861.6483150 0.12 1898.8934330 0.18 1934.9840090 0.12 1945.7767330 0.09 1968.8909910 0.10 1999.7110600 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 562.3145 Annotation Unknow Peak:m/z Relative Intensity 277.3114014 0.58 277.9499817 0.02 295.4683228 0.01 309.3379517 0.02 336.2228394 0.04 337.3166504 0.02 365.4475098 0.09 413.4364624 0.10 426.3174438 0.01 441.2775879 0.02 447.5314941 0.04 449.2222290 0.02 457.4251099 0.01 466.6693726 0.04 476.4456787 0.12 477.4122925 0.13 478.3380127 0.08 502.3563843 100.00 503.1423950 0.46 503.9271851 0.02 514.7953491 0.06 516.0618896 0.24 517.2549438 0.05 518.4044189 0.03 520.4473267 0.05 525.9181519 0.09 530.5073853 0.02 543.3786621 0.07 544.5641479 0.05 546.7254639 0.02 547.6447144 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 449.1486 Annotation Unknow Peak:m/z Relative Intensity 138.9171753 0.15 161.0870819 0.07 168.4549561 0.14 169.0566864 0.53 177.4380798 0.10 183.0574646 0.37 195.0886993 0.07 198.9868927 0.36 221.0303955 0.22 223.0731506 0.22 229.0337982 0.06 241.0261841 21.78 242.0252380 1.12 242.8422852 0.72 257.0918579 100.00 257.9848633 5.62 259.1250916 8.08 260.1441956 1.11 261.3160706 0.13 285.1094971 1.30 303.3415222 0.16 329.2464294 0.06 343.4292297 0.13 344.0740967 0.27 359.5234680 0.31 362.8113098 0.28 367.2514954 0.07 379.3116760 0.24 385.3875427 0.19 393.2760620 0.23 403.1794739 0.66 405.3613892 0.06 406.3520203 0.65 412.1183777 0.10 417.1094666 0.20 421.4068298 0.13 430.7593384 0.13 431.5778809 1.01 432.3013916 0.17 435.0670471 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 359.154 Annotation Unknow Peak:m/z Relative Intensity 118.9049377 0.65 119.8718033 0.19 120.9464035 0.04 122.9322968 0.77 123.9267426 0.18 125.0085602 0.05 126.8017654 0.06 136.0547333 0.07 146.9499817 1.05 147.9960632 0.12 165.0318909 11.00 166.0054016 1.09 166.9201965 0.05 177.4624634 0.09 179.0322876 0.01 182.0923157 1.13 196.9536285 0.02 198.4115295 0.03 201.4354858 0.09 204.9932098 0.10 221.2991333 0.08 222.5226746 0.66 223.8624878 0.04 229.5909424 0.10 246.8376770 1.60 248.9323120 0.14 255.1294556 0.22 261.3987427 0.05 264.0783691 0.05 268.6294861 0.40 277.5740356 0.06 286.1160583 0.24 292.2375183 0.04 296.8843384 0.02 298.8345947 0.08 305.6942139 0.27 312.8154602 0.28 313.4306030 0.08 314.3718262 0.04 315.4413757 0.01 321.9859009 0.06 325.4231873 0.05 326.6113281 0.05 327.8840942 0.09 329.3081360 0.02 330.9029846 0.28 336.3390808 100.00 337.2449951 3.80 338.1755981 0.05 339.4349365 0.04 341.3004761 0.43 342.8165283 0.24 343.8680115 0.04 349.4240417 0.05 350.7431946 16.59 351.6322021 0.63 352.4149780 0.15 353.3852844 0.09 354.0862122 0.01 356.0132751 0.16 357.3470764 0.05 360.4152832 0.03 373.4576111 0.05 385.1286316 0.03 402.2113342 0.06 414.2581482 0.05 421.1305237 0.06 432.3231506 0.33 433.2156372 0.10 449.2800598 0.37 450.2027893 0.04 461.9362183 0.16 492.3220825 5.68 493.4665222 2.25 494.4261780 0.24 500.5397034 0.11 536.2241821 22.97 537.1969604 6.25 538.2296753 1.36 554.1492310 0.09 555.0114136 0.06 629.3432007 0.12 647.0639038 0.35 670.3092041 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 84.69978333 0.27 88.90885925 0.71 95.06697083 0.82 103.0274811 3.24 104.8570862 0.24 107.118103 1.90 118.9234772 0.35 122.8805847 1.18 123.9116974 1.10 124.7301788 0.22 128.9418793 6.33 130.0646362 0.19 131.0523376 1.43 132.9994965 0.92 135.1150055 4.22 136.8111115 0.64 141.0082245 1.76 145.0782318 0.46 146.8858185 3.57 151.0685577 100.00 151.9938812 5.61 152.8070221 0.84 155.1239777 1.72 157.1712341 3.60 160.9308472 1.35 165.0342407 2.89 167.1118622 2.87 169.2203674 0.74 171.0687561 1.24 175.0063934 0.53 176.2972565 1.20 177.2611542 2.47 179.0474701 3.26 181.3472748 1.00 182.0803223 0.51 185.1120148 4.88 190.7024384 0.52 192.0849762 1.71 193.1685028 1.33 194.934433 18.93 197.0830231 5.91 198.0778198 0.74 199.4360809 1.71 207.293045 2.34 209.1334839 1.90 210.2640228 0.53 211.0620575 3.33 212.1771088 2.68 217.1870575 4.90 223.3235168 0.29 225.1152802 13.50 234.7464752 8.74 235.3543091 18.45 238.0085907 10.35 239.1005096 4.34 253.093399 70.61 254.162735 3.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 274.0622 Annotation Unknow Peak:m/z Relative Intensity 80.0800934 0.08 96.8355408 21.49 97.9941330 0.15 116.1016083 0.04 128.2301636 0.09 133.9434357 0.09 147.9867554 0.03 151.1734161 0.04 157.1728058 0.06 183.6512604 0.16 212.1640930 0.06 213.9468994 0.04 228.1460266 0.34 229.2427063 0.21 230.1562500 0.08 238.1198730 0.05 245.1699219 0.15 255.2128906 0.26 256.1706543 0.06 257.1761169 0.39 308.1817627 0.11 419.3367310 0.09 451.2887268 100.00 452.3002319 21.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0854 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 77.25018311 0.33 82.96381378 0.49 89.01390076 0.55 92.9200058 0.36 95.13426208 1.32 97.04330444 0.32 102.9717255 3.01 104.9212799 1.54 107.0960541 0.38 108.9014893 1.11 111.2172241 1.33 119.8799286 0.85 122.9785156 0.78 123.9826813 0.98 125.2321625 0.79 128.9201965 7.42 133.2277222 0.45 135.0788269 1.44 136.8882751 0.71 139.1414032 1.41 146.9232178 0.75 149.2928925 1.02 151.0466766 76.30 151.9610291 4.31 152.9077759 1.68 155.2061615 1.65 156.767807 0.97 159.0848999 0.86 161.1547852 1.03 162.04599 0.70 163.208313 1.31 164.9975433 2.20 167.0570831 2.48 169.0257721 3.38 174.8565521 0.92 179.1300201 1.91 180.1815033 0.96 182.1938019 2.43 183.2946167 0.38 184.9871826 1.48 190.3714905 1.09 191.1417542 1.73 192.3458099 0.31 193.1022949 0.74 195.0921783 2.44 197.1197357 5.72 198.1038513 0.52 199.0554047 4.14 207.1465759 2.20 209.0736542 2.83 211.1919861 1.22 215.1449127 0.72 215.9269867 0.49 217.1986237 9.05 221.0045929 0.82 222.8003387 0.26 223.9506836 1.10 225.194458 12.43 226.9108887 1.17 232.8505859 2.41 235.1625824 31.23 236.4243317 0.37 238.0548096 15.20 239.0762177 4.09 253.0834961 100.00 254.2719879 4.74 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 679.2442 Annotation Unknow Peak:m/z Relative Intensity 203.2254333 0.06 205.0016174 1.82 206.1651306 0.16 207.0296631 0.07 223.3232574 0.06 231.1001434 0.33 232.0552673 0.02 247.3457031 0.07 249.1639099 8.13 250.1551819 1.18 259.2049255 0.07 267.1250610 31.61 268.1264343 2.83 321.5067749 0.05 323.2192383 1.98 324.2606201 0.36 385.3020020 0.62 386.3687744 0.38 411.1375732 0.15 429.0658569 0.05 430.4541626 0.03 437.3224487 1.57 438.3117676 0.44 439.1964111 0.17 455.3046875 7.15 456.4272461 1.42 457.2265625 0.11 471.5992432 0.05 478.6090088 0.24 479.3123779 0.24 481.2308350 4.08 482.2559814 0.71 499.2765503 100.00 500.2443848 24.27 500.8481445 0.15 503.0906372 0.42 504.5039673 0.05 517.2924194 3.29 518.3969727 1.18 522.4695435 0.29 528.2463989 0.07 531.5187378 0.04 542.5632324 0.01 559.2008667 0.41 571.2160034 0.05 589.4220581 0.02 602.4164429 0.02 617.3377075 0.18 618.2576294 0.01 619.2380981 0.24 620.3198242 0.03 635.4501953 0.08 643.4780273 0.01 649.3788452 0.34 661.3414917 3.68 662.4440918 0.89 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1301.5469 Annotation Unknow Peak:m/z Relative Intensity 440.4980469 0.07 483.4642944 0.03 581.9246826 0.01 804.7461548 0.04 958.4001465 0.04 997.6219482 0.74 998.4798584 0.08 999.5512695 0.32 1000.7094730 0.14 1111.7141110 0.01 1113.5546880 0.15 1114.3980710 0.16 1115.0122070 0.01 1123.4780270 0.02 1155.5777590 0.10 1156.9887700 0.07 1157.5985110 0.35 1158.5217290 0.01 1168.9237060 0.05 1173.5333250 100.00 1174.6105960 0.35 1201.7985840 0.04 1229.2095950 0.08 1242.5910640 0.07 1257.5568850 0.17 1273.4287110 0.02 1283.4073490 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 625.2712 Annotation Unknow Peak:m/z Relative Intensity 174.8013763 0.15 182.9244995 0.34 195.1122284 1.18 205.0535583 1.16 213.1771545 2.06 219.4078674 0.45 231.0592346 0.55 237.0867004 0.32 249.1504517 7.44 267.1516724 5.19 291.3950806 0.22 357.3057861 12.12 375.2758179 100.00 376.2733765 0.85 399.1488647 0.17 427.6212769 0.32 439.1703491 0.38 444.4711914 0.24 445.3926392 0.23 446.0230103 0.33 462.7653809 0.44 484.9525757 0.15 505.5031738 0.68 521.7482300 0.21 531.3250122 0.07 532.2922363 0.15 547.4874268 0.18 563.6691284 0.21 565.4235840 9.57 566.3206177 0.39 589.4183960 6.62 606.2761230 0.08 607.4315796 66.48 608.5098267 1.57 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 467.1591 Annotation Unknow Peak:m/z Relative Intensity 167.0106659 0.15 168.8937988 0.23 223.2272339 0.32 241.0855713 17.33 242.1285248 0.83 243.1638794 0.38 257.0158081 7.27 258.5044556 0.85 259.1338196 0.79 263.2455750 0.42 291.3806152 0.22 299.1075745 8.08 300.1240234 1.01 306.0961304 0.07 313.2574158 0.70 338.9204712 0.40 355.4605408 0.16 365.3047485 0.11 387.3034973 0.26 388.6587524 0.81 395.4281921 0.18 397.2304077 0.98 398.5608826 0.26 405.9363098 0.32 409.2167664 1.31 410.4343872 0.21 421.2803650 9.17 422.2182922 2.22 423.3521423 12.46 424.3240356 3.24 425.2827148 0.34 430.6252136 0.16 431.4331970 0.17 435.2880554 3.55 437.2155762 12.76 439.2143860 100.00 440.3409729 15.36 449.2138977 2.38 450.2134094 0.53 450.8620911 0.07 452.1406250 1.84 467.3085022 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 961.5018 Annotation Volubiloside B Peak:m/z Relative Intensity 337.0310669 5.37 391.3823547 0.83 408.3549805 0.66 425.4765015 3.33 437.7495728 0.22 461.2849731 1.52 462.8311157 0.57 605.4480591 1.46 623.5839233 1.69 653.4502563 0.22 654.4574585 0.85 681.5220337 1.95 682.6336670 0.53 687.3585815 0.77 689.9312744 1.05 693.7092896 1.01 731.0902710 0.57 749.2180786 3.88 750.6512451 1.71 761.4981079 0.30 763.4586792 0.32 767.4893799 32.59 768.5159302 6.46 785.5258179 51.93 786.6257935 13.33 797.0682983 1.34 798.4185791 0.48 799.4400024 1.82 809.4697876 0.72 825.8226929 2.73 826.5844116 0.39 828.4913940 0.28 837.4158936 0.84 843.7315063 1.67 845.8530884 0.43 855.5950317 8.47 856.5831299 1.96 863.5701294 3.24 864.5657349 0.93 867.7410889 1.14 881.6622314 8.05 882.6234131 8.43 883.5137329 0.74 884.8765869 0.30 897.0061646 2.41 899.3780518 8.38 900.3509521 3.33 901.3610840 17.71 902.6235962 6.00 917.3784180 0.45 925.6973267 7.76 926.6970825 1.29 930.2291260 0.59 943.5236206 100.00 944.6023560 40.86 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 687.3598 Annotation Unknow Peak:m/z Relative Intensity 255.2729950 0.13 267.3903809 0.20 295.2121582 0.08 323.2509766 0.09 344.4478149 0.16 375.2894897 0.27 403.2349243 0.14 419.2922363 0.10 421.1091309 0.15 461.3948364 1.14 470.5476685 0.04 478.5595703 0.29 479.2920532 2.33 490.4228516 0.32 494.1919556 0.40 505.2077637 0.37 507.5363770 0.75 511.6636963 0.05 521.1542358 0.31 524.3125610 0.36 533.4714966 0.11 554.5106201 0.42 559.7254639 0.10 563.1042480 0.24 564.4798584 0.38 565.4985352 0.18 566.3952637 0.26 569.3048706 0.13 571.4122314 0.32 581.0803833 0.22 607.3412476 0.10 610.7526245 0.29 625.2843018 0.21 639.3057251 0.18 641.4038696 100.00 652.3966675 0.04 654.2512817 0.15 668.1743774 0.48 669.4665527 1.36 670.7958374 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 277.0329 Annotation Unknow Peak:m/z Relative Intensity 78.9104767 6.07 96.8909454 100.00 100.9867325 0.06 130.9479370 0.15 148.8352661 0.80 179.1004028 0.43 203.2214661 0.05 217.1158752 0.25 221.0857544 0.04 239.0326538 2.32 240.9218750 0.28 259.2522583 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 323.117 Annotation Unknow Peak:m/z Relative Intensity 96.8932648 100.00 159.9568176 1.20 171.1202698 0.14 262.0781555 0.68 269.3778381 0.11 291.8956604 0.17 305.2286987 11.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 683.16 Annotation Unknow Peak:m/z Relative Intensity 196.9329681 0.03 199.2897949 0.15 200.9993134 0.09 202.9046936 0.09 204.0294037 0.13 204.7919312 0.38 213.1656189 0.08 214.3063049 0.11 215.3444061 0.04 216.6301575 0.22 217.2578430 0.09 219.2162476 0.06 223.1867371 0.05 226.9532776 0.19 227.7660828 0.03 229.0590820 0.04 231.2334290 0.03 232.1793823 0.22 233.0187073 0.05 237.7495880 0.05 243.2746582 0.23 245.0208588 0.14 253.1377869 1.10 255.1118622 0.39 255.9629822 0.08 260.1004639 7.78 261.0154114 0.22 267.0648193 0.32 269.4463806 0.41 270.2326050 1.07 271.2133179 0.47 273.0965576 2.20 281.2126770 1.67 285.8275146 0.50 287.1112061 0.07 288.9671631 0.09 289.6377258 0.07 291.2842407 0.58 293.1934814 0.06 297.0058289 0.94 298.1457214 4.63 299.1582031 1.67 301.0931396 0.50 303.2593079 0.04 311.0014648 0.06 312.3572388 0.16 313.1131287 0.31 315.0588379 6.04 316.0968018 4.30 317.0648804 0.53 323.2528076 0.09 331.1310425 100.00 331.7572021 0.18 335.1617432 1.36 336.2059937 0.05 345.1182251 0.49 346.2213745 0.10 353.0927734 6.99 361.1372070 0.63 370.4356079 0.12 372.9856567 0.09 394.2573853 0.09 395.6135254 0.15 407.1280518 0.06 410.3001709 0.08 413.4288330 0.12 415.5531616 0.03 417.0551147 0.02 452.4021606 0.04 457.1559448 0.39 457.9442749 0.07 466.9501343 0.06 492.7338257 0.07 495.3085327 0.17 506.4690552 0.35 510.3943481 0.09 535.4833374 0.05 549.2883911 0.33 553.1303101 0.11 554.5619507 0.17 586.3176880 0.16 589.8932495 0.06 591.1638794 0.19 603.4464722 0.02 616.5906982 0.05 621.0400391 0.05 628.8066406 0.08 637.5112915 0.09 638.5177612 0.08 641.9102783 0.10 646.0388794 0.03 647.0770874 0.14 655.5530396 0.04 664.2927856 0.15 665.3190918 1.06 666.2365112 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 967.92 Annotation Unknow Peak:m/z Relative Intensity 335.1785889 0.05 343.1983643 0.14 451.4778442 0.16 469.6028442 0.42 511.4614258 0.02 543.5407715 0.06 551.4736938 0.16 577.4477539 0.04 579.3931885 0.07 583.4967651 2.83 593.7601929 0.09 595.4763184 0.08 623.8032837 0.43 625.5492554 0.04 627.5674438 1.07 641.5657349 7.93 645.4923706 4.49 657.5519409 0.10 681.7020874 0.07 683.4739990 0.33 685.2692261 0.53 687.4122314 0.31 699.5061035 0.35 703.3674316 0.18 725.6011353 0.08 729.0837402 0.09 733.6004639 0.08 745.2599487 0.07 747.6707153 0.06 760.9231567 0.03 761.6401367 1.16 773.2948608 0.03 785.5331421 0.17 789.5061035 1.36 803.4580688 15.58 804.0967407 0.28 805.2433472 0.34 807.4694824 74.27 808.4426880 0.52 819.6858521 0.08 821.1102905 0.09 835.3207397 0.78 847.5414429 15.63 849.4296875 0.08 861.6377563 0.03 863.4520264 2.50 865.4031372 39.41 866.1152954 0.14 877.4832153 0.23 891.1217651 0.11 895.5656128 1.45 905.4910278 1.08 907.3169556 1.21 908.2562866 1.46 908.8704834 0.10 921.4172974 0.12 923.4276123 100.00 924.0447388 0.89 939.9250488 0.09 949.4507446 0.94 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1141.4695 Annotation Unknow Peak:m/z Relative Intensity 338.2575989 0.19 347.1172791 0.66 351.2249756 0.34 365.0429993 0.43 374.3507080 0.25 374.9749146 0.62 376.2427979 2.29 382.0392456 0.53 392.3563843 0.20 422.3475342 0.60 445.3572998 0.17 448.2345886 0.20 468.0137939 0.31 476.8578186 0.91 489.0757446 0.60 494.9293823 0.42 496.4214172 1.81 506.2059631 0.13 517.5010376 0.74 523.3050537 1.51 524.4100342 0.32 528.1759033 0.37 543.1713867 0.47 584.2564697 0.33 588.4790039 0.88 604.3780518 0.61 608.3959961 1.15 614.5004883 1.02 618.3122559 0.48 636.2501831 2.31 637.3858643 3.27 655.4882202 0.40 663.4073486 0.21 666.8786011 1.38 676.4615479 0.54 685.5979004 0.64 688.4307861 0.15 703.7573242 1.15 706.4259033 0.50 735.2211914 0.35 749.5141602 2.68 750.4305420 1.27 751.1054688 0.35 754.1556396 0.69 756.5445557 0.27 775.5479126 0.41 788.5020142 0.82 804.4411011 0.31 830.8613281 0.22 832.8785400 0.42 848.5153809 1.54 849.7022705 2.10 870.6138916 1.07 871.5856934 0.29 882.7043457 0.50 887.0257568 0.50 887.7188721 0.56 888.8598633 1.46 890.3607178 0.22 904.8114014 0.51 913.4099121 0.93 922.8378906 0.51 925.4454346 0.16 926.8079834 1.20 931.2288818 0.62 932.5404053 0.40 934.7264404 1.99 937.0849609 0.67 939.4912109 1.46 941.3933105 1.11 942.4289551 0.16 946.1713867 0.96 947.2783203 0.80 949.0532227 1.48 950.5506592 1.13 952.2142334 0.84 955.4112549 1.95 956.1887207 2.00 959.5157471 1.80 960.9394531 1.22 962.5627441 0.65 963.8104248 2.83 965.1278076 3.75 966.6166992 1.16 968.4677734 1.17 970.3546143 0.80 972.9349365 0.90 973.8758545 2.31 974.8271484 0.88 976.3757324 2.36 977.6511230 2.96 979.6389160 1.33 981.2532959 0.65 982.1955566 1.03 983.3211670 1.93 984.8625488 5.80 986.6697998 1.72 987.6643066 1.25 988.8211670 0.45 989.8085938 0.26 990.4739990 1.75 993.0048828 1.78 994.3554688 0.74 995.3139648 0.88 996.1303711 0.69 999.2844238 3.01 999.8927002 1.82 1000.5332030 2.44 1002.3117680 1.74 1005.5384520 0.57 1006.2822270 1.99 1007.6312260 2.70 1009.2684330 6.16 1010.8449710 2.81 1011.6412350 5.84 1013.4094240 0.57 1014.5655520 1.49 1016.7513430 7.70 1017.4091800 7.34 1018.6518550 0.40 1019.3041990 2.32 1020.5466310 3.52 1022.1115720 4.84 1022.9084470 2.44 1024.1582030 2.87 1025.4135740 0.98 1026.1928710 2.04 1027.5798340 5.97 1028.4311520 1.29 1029.8858640 1.36 1032.1374510 6.78 1033.3226320 9.95 1034.0958250 1.98 1035.1033940 1.26 1035.9328610 0.69 1037.3122560 7.12 1038.3483890 6.19 1039.0327150 0.91 1040.0439450 4.49 1042.6188960 5.79 1043.5275880 0.20 1047.3190920 2.16 1048.5769040 3.38 1049.3471680 9.56 1050.5644530 4.16 1051.3608400 5.36 1052.1612550 4.10 1053.0424800 1.13 1054.6416020 16.83 1055.4846190 12.00 1056.3599850 13.16 1057.5412600 6.35 1058.8344730 2.04 1059.8769530 8.39 1060.8814700 7.75 1062.0928960 6.82 1062.8112790 3.66 1063.7778320 4.27 1065.1828610 12.32 1066.1743160 19.24 1066.9394530 5.06 1067.5491940 5.63 1069.1276860 0.51 1070.3142090 1.71 1070.9199220 31.65 1071.6762700 13.73 1072.4307860 0.54 1073.0975340 2.11 1074.5134280 2.91 1075.5345460 1.93 1076.2061770 1.94 1076.8994140 1.99 1077.5717770 1.10 1078.3208010 4.03 1082.3154300 4.32 1083.3764650 5.97 1084.2866210 9.04 1085.0706790 1.29 1087.1993410 10.31 1088.7113040 7.80 1089.4619140 3.84 1090.2681880 0.14 1091.3858640 0.52 1093.2121580 31.40 1094.0852050 28.40 1095.0823970 15.97 1096.1187740 5.68 1097.6301270 21.74 1098.5363770 31.15 1099.3034670 7.38 1099.9840090 2.79 1100.6649170 2.31 1101.3992920 2.21 1103.2972410 70.11 1104.2226560 100.00 1105.3220210 8.97 1106.2071530 1.26 1106.9873050 5.20 1108.6571040 24.95 1109.3079830 26.37 1110.2844240 5.51 1112.2121580 4.67 1113.1562500 3.52 1114.0037840 0.73 1115.6253660 4.10 1116.5673830 6.66 1117.5021970 0.55 1118.4750980 2.90 1121.2177730 5.74 1122.0300290 3.05 1124.4511720 9.72 1125.5576170 3.10 1126.8608400 31.83 1127.5656740 10.76 1130.3494870 31.20 1131.4315190 6.53 1132.8239750 1.24 1135.6041260 0.54 1141.5021970 0.30 1154.0285640 0.36 1156.3577880 0.28 1165.9934080 0.40 1166.7200930 0.27 1167.9079590 2.50 1171.1525880 2.11 1172.2393800 1.29 1176.6909180 1.43 1180.7712400 6.63 1181.6730960 0.59 1183.8015140 0.65 1188.7978520 0.21 1190.5740970 0.44 1191.5336910 0.60 1193.5582280 1.11 1204.4028320 0.88 1207.7155760 1.66 1211.8403320 0.83 1213.3974610 0.55 1219.2492680 0.97 1221.5603030 2.98 1222.4006350 1.62 1224.3795170 0.26 1225.0561520 0.23 1228.8374020 0.79 1230.3549800 0.38 1231.6899410 0.42 1236.3397220 2.36 1237.8508300 1.31 1246.6856690 0.12 1248.7539060 0.54 1249.9685060 0.74 1251.5808110 0.92 1252.6292720 0.17 1256.0212400 1.11 1257.1596680 0.40 1265.9355470 0.84 1268.0601810 0.34 1270.0264890 1.17 1272.2358400 1.32 1273.1612550 1.14 1274.7792970 3.13 1276.4245610 2.78 1277.5649410 2.21 1279.1845700 1.27 1280.0550540 5.00 1280.6625980 2.85 1283.6865230 1.30 1288.4407960 8.57 1289.1135250 1.44 1290.0632320 4.22 1294.1407470 0.72 1297.3538820 0.83 1299.3145750 0.45 1302.5761720 1.12 1303.7812500 1.07 1307.6325680 1.57 1312.9884030 1.98 1316.3266600 0.51 1318.1181640 1.26 1319.9991460 2.45 1320.6157230 0.76 1321.4309080 0.89 1323.9511720 2.35 1325.0468750 3.99 1326.6567380 2.39 1328.0395510 0.76 1329.5046390 1.36 1333.3129880 0.47 1334.1871340 2.57 1336.7257080 0.86 1337.8504640 15.39 1338.6461180 5.16 1339.5068360 2.25 1342.2274170 1.91 1343.0762940 1.02 1345.9619140 1.05 1350.5758060 0.74 1351.9587400 2.02 1352.8001710 0.29 1357.3553470 0.49 1362.1021730 0.21 1363.4385990 1.07 1364.7999270 0.14 1368.2557370 2.28 1369.9907230 1.76 1371.4212650 0.19 1372.1909180 1.05 1373.8203120 0.58 1375.0750730 0.75 1376.7332760 0.49 1377.9702150 0.54 1379.3179930 0.49 1380.7961430 2.90 1383.9785160 0.77 1385.5714110 8.74 1386.3436280 0.13 1387.1743160 3.52 1388.1691890 0.65 1392.0928960 0.39 1394.3121340 8.97 1395.2778320 11.89 1396.1336670 1.63 1397.4132080 0.86 1400.2225340 0.69 1402.3137210 0.39 1405.3466800 0.20 1407.1993410 1.56 1409.0454100 1.86 1411.0816650 1.15 1412.3619380 1.15 1415.3387450 1.05 1416.5755620 0.51 1421.8394780 0.32 1423.8364260 0.34 1425.5124510 1.01 1427.2346190 0.63 1428.0042720 0.65 1429.0632320 1.45 1431.0091550 2.98 1432.6646730 1.80 1433.6730960 0.49 1434.2835690 0.89 1435.9027100 0.82 1437.6889650 1.74 1441.4499510 1.27 1442.3387450 6.12 1443.1492920 3.23 1444.7052000 1.33 1446.3067630 2.11 1447.0417480 0.46 1447.6743160 0.14 1448.5297850 1.20 1451.2387700 13.56 1452.1793210 3.34 1452.8773190 2.53 1454.0971680 3.49 1455.6036380 0.42 1456.7850340 1.08 1458.5992430 3.12 1459.2941890 0.35 1460.0321040 2.33 1461.6500240 0.62 1462.3111570 1.13 1463.4542240 1.60 1464.9552000 9.45 1465.8974610 3.34 1466.8426510 0.85 1467.6282960 2.32 1468.6070560 1.72 1470.3262940 0.40 1471.2944340 0.59 1472.2453610 3.05 1473.0286870 5.65 1473.7806400 2.01 1474.5487060 0.48 1475.4295650 0.90 1477.3026120 3.66 1478.0456540 0.59 1480.0340580 0.48 1480.9045410 0.49 1481.6535640 1.16 1482.5692140 0.25 1485.2572020 0.68 1486.2144780 1.84 1487.3724370 0.83 1490.4564210 1.53 1491.2979740 1.99 1495.8869630 2.52 1498.4765620 1.34 1499.4293210 4.30 1501.7928470 1.35 1503.2209470 1.15 1505.2861330 1.27 1506.0667720 2.02 1507.0206300 1.50 1508.1795650 1.76 1509.1604000 0.63 1510.0758060 2.25 1510.9808350 3.39 1512.4603270 11.12 1513.3228760 8.81 1514.1954350 9.29 1515.4417720 1.23 1516.4372560 3.30 1517.2019040 1.76 1518.4885250 2.78 1520.2034910 0.39 1521.5603030 2.28 1522.4903560 3.00 1523.3629150 0.90 1524.3699950 7.63 1525.1462400 10.29 1526.2813720 3.31 1527.1866460 4.07 1529.2131350 0.88 1530.2869870 0.88 1531.8865970 0.61 1532.8708500 3.68 1533.7858890 1.96 1534.5767820 2.44 1535.5214840 1.94 1536.9820560 1.78 1538.4603270 4.67 1539.1883540 0.70 1540.6219480 1.21 1541.4759520 1.83 1542.3245850 1.83 1543.5684810 0.50 1544.3123780 2.04 1545.4381100 1.20 1546.2491460 4.71 1547.3728030 4.51 1548.2458500 4.29 1548.8830570 0.68 1549.7239990 1.37 1550.8922120 0.52 1552.8415530 2.43 1553.7637940 0.37 1555.1278080 5.51 1556.2274170 6.10 1556.9272460 12.08 1557.6666260 0.70 1558.4176030 1.01 1560.0123290 2.60 1562.4815670 1.97 1563.5557860 0.57 1565.2934570 0.75 1567.7777100 0.58 1569.3769530 1.88 1571.6660160 1.16 1572.3585210 1.49 1573.7808840 5.58 1575.1439210 3.02 1577.5220950 2.32 1578.6473390 0.22 1580.4913330 3.28 1581.2307130 5.47 1582.1002200 6.32 1582.9512940 4.27 1583.5665280 0.62 1584.2402340 0.11 1585.4886470 2.65 1586.4174800 3.10 1587.2353520 2.50 1588.0802000 2.53 1589.4383540 1.59 1590.4436040 31.68 1591.3489990 22.46 1592.3007810 2.89 1593.0794680 3.33 1595.3327640 10.47 1595.9395750 8.21 1596.6053470 6.08 1597.6950680 3.00 1598.3531490 3.10 1599.5997310 4.08 1600.5249020 2.07 1603.4005130 5.20 1604.2106930 3.80 1605.2796630 0.67 1606.3172610 4.22 1607.6060790 3.39 1609.7946780 0.53 1611.4222410 0.74 1617.7270510 1.31 1620.2432860 1.11 1622.3481450 0.45 1626.5594480 0.90 1629.1586910 0.16 1630.0445560 2.37 1631.4389650 1.66 1632.7258300 1.65 1633.7100830 0.89 1638.3322750 1.20 1639.4334720 5.73 1640.3489990 4.85 1641.7763670 0.90 1643.9688720 2.08 1646.6199950 0.92 1647.5759280 3.24 1649.6688230 3.22 1652.8531490 0.91 1654.5733640 2.82 1655.4378660 6.79 1656.1007080 2.54 1657.4166260 0.17 1662.9036870 1.15 1664.1416020 5.34 1664.9616700 0.78 1672.6662600 0.85 1677.4901120 1.55 1686.3792720 0.19 1739.5480960 0.41 1744.4044190 0.58 1819.6945800 0.29 1823.9730220 0.17 1833.9320070 0.57 1851.5633540 0.35 1932.2237550 0.31 1934.0030520 0.35 1953.6470950 0.42 1961.9217530 0.41 1982.6197510 0.15 1986.2390140 0.51 1996.6146240 0.15 1998.9504390 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 703.3538 Annotation Butyl 3'-O-acetyl-2'-O-butanoyl-4,6,4'-tri-O-(2-methylpropanoyl)-neohesperidoside Peak:m/z Relative Intensity 284.3043213 0.17 301.0818481 0.33 302.4582520 0.10 304.2363892 0.11 306.1234741 0.10 312.5288696 0.07 340.5022278 0.05 341.3605957 0.43 342.2780457 1.36 355.2897949 0.05 358.9473877 0.25 373.3770142 0.17 405.4647827 0.08 427.0616455 0.05 438.3796997 0.04 443.3878174 0.25 457.8209839 0.04 460.3123779 0.26 467.5231323 0.11 468.3602295 0.12 477.4825439 0.15 481.4530640 0.11 492.3099365 0.31 504.1761475 1.95 505.3169556 0.96 522.2352905 0.23 523.1260376 0.62 526.8347778 0.11 527.6091919 0.20 540.4472656 0.14 541.2200317 0.50 553.3706665 0.05 555.2149048 0.23 557.3114624 0.17 558.2787476 0.17 565.4913940 0.21 568.6826782 0.16 585.3163452 0.12 587.1641846 0.09 592.3772583 0.12 597.3757935 0.09 615.3632202 0.10 619.5694580 0.22 623.4991455 0.18 625.4660034 0.07 629.9818726 0.05 632.2076416 0.26 639.1597290 0.41 639.8781128 0.46 643.3634644 0.04 648.6276855 0.09 649.6071167 0.17 653.8764648 0.18 654.5025024 0.10 655.5416870 0.33 656.7616577 6.42 657.4313965 100.00 658.1339111 0.47 660.2932129 0.20 667.4768677 0.61 671.4184570 0.26 674.0543823 0.22 675.3599854 0.17 680.7248535 0.29 684.2538452 1.20 685.4337769 0.77 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 725.2866 Annotation Unknow Peak:m/z Relative Intensity 205.0935669 0.13 213.2055969 0.03 217.0652008 0.03 221.9609985 0.04 229.1711731 0.30 230.4775085 0.13 231.1235809 0.02 247.2754211 0.08 249.2268524 0.25 266.2658691 0.06 267.1679688 0.03 271.3981934 0.04 277.4173584 0.04 283.5569153 0.04 291.0906982 0.09 295.1651611 2.61 305.3684692 0.17 307.3558044 0.04 313.1698303 7.87 323.1688843 0.41 324.3979492 0.07 325.3114624 0.05 351.1173706 0.04 383.3551025 0.11 388.9313965 0.10 401.2490845 0.34 421.1766968 0.02 429.2406616 0.13 451.4439697 0.03 457.5667114 0.04 463.2738647 0.17 501.1828613 0.48 518.2310181 0.04 527.4274292 0.26 536.5932617 0.16 545.3154297 100.00 545.9276733 0.31 551.1182251 0.03 562.4363403 0.07 563.1856689 0.06 569.0289307 0.04 579.3775024 0.08 591.4925537 0.02 593.1193848 0.04 594.3235474 0.06 596.2708130 0.07 608.4202881 0.08 609.1491699 0.07 613.8181763 0.06 617.4886475 0.06 621.4146118 0.11 623.2921753 0.14 627.1676025 0.05 631.4851685 0.04 636.9538574 0.06 641.3068237 0.16 653.6074829 0.02 675.3693848 0.02 678.6701050 0.04 679.6342163 0.22 681.0237427 0.16 687.4625854 0.20 688.2767944 0.24 692.2206421 0.34 693.3534546 0.06 705.4846802 0.02 706.2833252 0.20 707.3320923 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 457.29 Annotation Methoxybifurcarenone Peak:m/z Relative Intensity 128.3686371 0.09 131.0457764 0.19 133.0962372 0.03 135.0811615 0.34 137.0327911 0.65 139.1182556 0.61 142.0197601 0.24 143.0908051 0.16 143.8977509 0.08 145.1028290 0.76 147.0372925 1.05 149.1368103 0.30 151.1803284 0.12 155.0572205 0.82 156.1608276 0.06 157.0472565 0.19 159.1207886 0.76 161.2241211 0.86 163.1220398 0.69 169.0198517 0.15 170.8997498 0.10 173.0803070 2.59 175.1862030 0.22 177.0604401 5.45 183.1992188 0.30 185.1776428 0.48 187.1272278 0.11 189.0187836 1.65 191.3892517 0.41 192.0956421 0.10 193.1441956 0.36 195.1539307 0.64 196.1868896 0.08 197.0023956 0.18 198.2011719 0.16 199.2585754 0.12 201.1888733 0.75 202.9405823 0.55 205.1461182 1.73 207.2847443 0.71 208.1457825 0.05 209.1467133 3.72 211.1869354 0.25 212.0925903 0.09 213.0333557 1.28 213.7516785 0.07 215.2261200 0.56 217.1846924 0.42 219.2477112 0.72 221.0860901 0.53 223.2170868 0.75 225.1217041 0.42 227.1667938 1.01 228.9390869 0.33 231.1504822 2.31 233.0667114 0.25 235.1095123 0.71 237.1046600 0.71 238.8897400 0.14 239.6832886 0.53 241.0300751 0.46 243.1557007 0.62 245.3534546 0.13 247.2689514 0.33 249.1014099 6.97 250.9931641 1.07 253.2554016 0.51 255.2245789 1.48 257.3367004 0.11 259.1430054 0.21 261.2284241 1.52 263.1166077 0.27 265.2376709 2.16 266.1010437 0.12 267.2839661 1.58 269.2528992 0.87 271.2031860 1.65 275.1266174 0.17 277.0443726 0.31 279.2956848 0.25 281.3387451 1.15 283.1963806 5.32 285.2294922 2.35 287.2601013 0.18 289.3547363 0.13 291.2564087 0.29 293.2525635 5.91 293.9618225 0.04 295.2702637 0.51 297.1705322 0.79 299.2207031 4.44 301.2087708 51.48 302.5402527 1.08 303.3171082 11.02 304.3484497 0.47 305.3922729 0.45 307.5591431 0.10 309.3932495 0.33 311.2680054 21.93 313.0713501 0.93 315.0293579 0.18 317.2294922 5.85 319.2766113 0.75 321.2864685 1.25 323.4069214 0.26 327.3954163 0.12 329.2470703 40.88 331.2956543 2.49 333.3100586 0.58 335.3174133 0.45 337.1700439 0.54 339.2033081 2.41 340.2939148 0.30 341.2219849 0.23 342.5353394 0.06 343.4407349 0.46 345.3052979 0.30 347.2342834 100.00 347.8488159 0.35 351.3667603 0.09 353.1795654 0.58 355.4507446 0.36 356.6359253 0.34 357.3300476 3.44 359.5721436 0.14 361.2625732 0.60 363.4415894 0.36 365.6067505 0.31 367.3800659 0.57 369.1765137 0.43 371.3520508 0.76 373.4089966 0.79 374.4494629 1.80 375.4311829 2.54 377.4208984 0.15 379.3056946 1.18 381.4008484 0.44 383.3424988 0.56 384.3499451 0.22 385.2083435 0.92 387.9784851 0.22 393.3577881 0.07 397.3941650 0.55 399.2155762 0.10 403.4012451 4.37 409.6281128 0.19 411.3476562 1.03 415.5749207 0.09 421.3730469 13.27 427.2307434 0.11 429.1971436 0.36 439.3038330 57.32 439.9399719 0.53 442.3763733 0.08 448.6647644 0.52 457.5316467 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1139.3096 Annotation Tenuiphenone B Peak:m/z Relative Intensity 317.3132629 0.09 327.1898499 0.12 329.0556946 0.07 330.2621155 0.37 331.0639038 0.05 334.8649292 0.07 344.9359436 1.03 345.5953369 0.02 349.1892700 0.08 354.3827209 0.03 359.1264954 0.13 365.1164551 0.15 369.1404114 0.15 372.0375977 0.16 377.0204773 0.06 382.9955444 0.20 384.1102295 0.01 385.1645203 0.11 387.2745972 0.35 396.1766357 0.05 398.1755066 0.06 399.0228271 0.03 409.4948425 0.12 411.1318665 0.03 415.1893311 0.02 425.4263916 0.02 427.2776489 0.05 437.1145020 0.13 439.0841980 0.06 453.1556396 0.22 459.1716309 0.06 469.1536255 0.17 483.2560120 0.09 485.2457581 0.39 488.6888123 0.05 502.5072632 0.01 505.3583374 0.07 507.1920471 0.06 513.1646118 0.06 515.2530518 0.08 521.0419922 0.11 527.1517334 0.06 529.1480713 0.07 538.3946533 0.08 543.4443359 0.03 569.4539795 0.04 574.4953613 0.02 589.4111328 0.07 597.3181152 0.03 599.1376953 0.15 609.5527344 0.08 617.3015747 0.58 618.4542236 0.05 623.6204834 0.04 625.3105469 0.08 633.3685303 0.27 636.2819214 0.05 637.2540894 0.15 638.3248291 0.14 642.8475342 0.04 651.3109741 1.03 653.3295898 0.15 655.0242920 0.03 665.2797852 0.03 666.9564209 0.03 669.2100830 0.89 681.4459229 0.53 683.5976562 0.18 696.2922974 0.02 705.0415039 0.02 707.3142090 0.04 721.8380127 0.02 723.3589478 0.10 751.4486694 0.28 765.3710938 0.70 779.3704834 1.23 783.1968384 0.90 783.8448486 0.02 786.0429077 0.05 787.2921143 2.74 788.4023438 0.91 793.3289795 1.06 794.3237915 0.07 795.3555298 0.04 797.3397217 0.02 801.2749023 5.04 808.9962769 0.05 811.5899658 0.04 813.1274414 0.04 815.4796143 0.29 827.0471191 0.47 827.7109375 0.09 830.3023682 0.08 831.1644287 0.02 841.5385742 0.16 845.3768311 0.78 855.3054199 0.06 857.2625732 0.12 858.9180908 0.09 860.5086670 0.08 880.5573730 0.02 885.0500488 0.04 913.4700928 0.06 918.9765625 0.09 923.4459229 0.02 926.2170410 0.02 927.5944824 0.03 928.4373779 0.03 930.3195801 0.52 931.3729248 0.59 940.5572510 0.21 941.7419434 0.03 942.3460693 0.06 945.3642578 36.89 948.2739258 0.27 949.3687744 0.03 950.6354980 0.05 957.5874023 0.10 958.5820312 0.78 959.2922363 1.11 963.3365479 100.00 964.0021973 0.13 965.0568848 0.04 977.2967529 26.88 978.0195312 0.14 989.2862549 0.71 991.5563965 0.02 1002.8753660 0.12 1019.6215820 0.27 1021.2609860 1.71 1022.1855470 0.32 1022.8393550 0.10 1034.6042480 0.05 1042.6495360 0.03 1061.0938720 0.01 1065.3178710 0.05 1071.1992190 0.01 1075.1938480 0.02 1079.3583980 0.13 1095.1423340 0.10 1096.3046880 0.06 1106.4184570 0.16 1107.3322750 0.44 1108.3830570 0.17 1121.1740720 0.59 1124.3820800 1.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 413.1404 Annotation N6-Carbamoyl-L-threonyladenosine Peak:m/z Relative Intensity 120.0239258 0.11 120.9295273 0.01 123.0621414 0.01 132.7913513 0.03 134.8512726 0.05 135.9438629 0.17 142.1609344 0.06 145.2681885 0.03 145.9848938 0.05 146.9571381 0.05 150.0887756 0.05 159.3049469 0.02 160.0481110 0.02 162.0406647 0.81 170.0266724 0.11 173.1430664 0.09 177.2685242 0.04 183.1976624 0.04 184.1305847 0.02 187.5180206 0.02 189.9175110 0.02 205.2565918 0.09 207.2124939 0.02 210.1459961 0.04 213.9302368 0.04 215.4690552 0.08 218.1554108 0.04 219.1579132 0.09 227.6102142 0.07 228.2472534 0.06 229.1774292 0.09 231.0602112 0.11 233.0627747 0.08 239.3959045 0.10 241.3354492 0.07 243.4356384 0.03 251.0732727 0.48 251.9641113 0.08 252.9849243 0.03 255.0986938 0.03 256.8796997 0.06 259.3351440 0.16 264.2164917 0.02 265.2874756 0.11 268.1243286 3.82 269.0249939 0.10 271.2387085 0.12 272.2010498 0.02 273.2966003 0.05 279.3394470 0.02 281.1011658 100.00 283.1477966 0.05 284.0424194 0.02 286.4503784 0.02 287.2048950 0.05 289.1616516 0.05 290.5624390 0.04 291.2189941 0.04 294.1842651 1.00 297.2293091 0.08 298.2309570 0.10 301.3139038 0.08 303.6997070 0.15 309.2239990 0.03 311.5850220 0.01 314.6421204 0.04 326.4599609 0.04 327.4035034 0.11 329.3518677 0.07 339.6939697 0.09 342.2914124 0.03 343.2062683 0.07 346.7767639 0.06 351.5145264 0.02 353.5325012 0.03 354.9844971 0.35 359.3967590 0.01 364.6183167 0.07 366.7820435 0.07 369.0742188 0.02 370.4843445 0.13 371.3213196 0.06 371.9562683 0.04 374.6934509 0.11 376.6101685 0.04 377.6052551 0.34 380.3203430 0.04 381.2082214 0.02 385.2269897 0.06 388.6122131 0.14 389.3090515 0.12 394.3371582 0.47 395.2979126 1.51 396.0040588 0.10 403.7914124 0.24 412.5357971 0.08 414.3585510 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 456.17 Annotation Gymnastatin A Peak:m/z Relative Intensity 128.8185272 0.09 133.1431122 0.36 136.2121887 0.13 140.9183960 8.77 147.1713104 0.48 149.0493469 0.19 158.8526001 0.17 162.0182800 0.36 164.9589844 0.29 172.9261169 0.13 175.1395721 0.61 176.9582062 100.00 180.9988708 0.10 185.2470093 0.05 189.1191101 0.30 199.2049866 0.13 209.1275177 0.12 212.9143524 0.60 226.9495239 0.21 228.9857788 0.19 230.0918274 0.24 233.0394592 0.12 241.1644287 0.35 243.1954346 0.08 253.1455383 0.57 258.9672546 0.11 261.1204529 0.68 269.4046021 0.15 277.4589539 0.09 281.3029785 0.24 293.9040222 0.39 297.0991211 0.15 299.1911621 0.19 304.4882202 0.30 307.4662476 4.49 308.1890259 0.31 310.1594543 0.16 311.2919922 0.49 313.5381470 0.07 318.1647034 0.19 319.3431702 0.28 320.2283630 0.10 322.2309570 0.20 323.0901794 0.49 324.4760132 0.52 338.1600952 7.28 338.9474487 15.14 340.3601074 0.26 342.2008667 0.45 344.6351929 0.82 350.3134766 0.20 357.6870728 0.43 366.1055298 0.12 367.2521973 1.02 369.3700562 0.45 372.0883179 0.19 375.1193848 0.09 391.2439270 0.22 395.3081055 0.12 398.1050720 0.16 409.0394897 0.40 409.6453247 0.43 410.5443726 0.37 412.8793335 0.37 414.4146423 0.25 415.7813721 0.32 420.4729309 0.60 423.2809753 0.17 427.2189026 0.94 428.3668518 0.22 435.5623779 0.07 437.3238220 2.09 438.3463745 2.66 439.1813660 2.90 441.3680725 0.36 444.4468689 1.32 455.5729065 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1078.778 Annotation Unknow Peak:m/z Relative Intensity 314.2067261 0.69 339.3069763 0.36 344.0466309 0.40 348.1417847 0.79 371.1439209 0.61 372.3114624 0.19 375.0917358 0.93 385.5043030 0.37 388.2564392 0.18 398.0548706 0.10 403.4500732 1.28 404.4066162 0.73 407.2441101 0.15 413.6068420 0.51 418.6063232 0.40 420.6177368 0.19 439.4356079 0.49 442.3384399 1.66 464.2083740 0.32 468.5364990 1.49 472.4131165 0.14 482.4782715 0.58 506.8001099 0.66 511.6077271 0.14 519.6809082 0.15 523.3930054 0.19 551.3151855 1.10 551.9759521 0.35 556.4246826 0.38 569.3321533 0.50 586.4978027 0.53 590.5828857 2.82 591.3341064 0.92 592.4356689 0.15 593.2537231 0.22 607.3309326 0.78 610.3140869 0.18 616.7888184 0.34 617.5551758 0.53 622.5560303 0.19 635.1733398 0.83 636.2860107 1.09 637.4379272 0.93 638.4642334 0.52 640.4803467 0.14 642.2045898 0.98 643.4228516 0.78 661.8787842 1.07 667.4981689 2.29 668.4979248 0.70 672.2157593 0.19 674.8411865 0.44 686.0415649 1.31 698.0233765 0.47 700.4114990 0.44 721.8692627 0.14 726.0274048 0.49 733.0913696 1.46 754.1396484 1.09 760.4594116 0.47 776.6730957 0.14 777.5586548 0.97 781.4753418 1.26 784.1453857 0.89 788.4336548 0.37 794.8929443 1.04 797.9108887 0.75 804.5634766 2.78 807.1369629 1.51 812.2185059 0.42 817.9830322 0.42 819.5618896 0.73 820.4998779 0.46 833.2551270 0.31 835.5311279 0.71 847.5196533 0.75 848.3392334 1.33 850.1086426 1.25 853.1562500 1.21 857.3314209 0.35 862.2501221 0.34 863.0592041 0.62 867.4801025 1.21 878.6055908 0.28 881.0517578 2.11 884.2808838 0.85 885.3576660 0.75 889.4770508 5.19 890.4699707 1.13 893.1298828 1.21 895.9010010 2.33 897.1600342 2.88 901.5451660 1.27 902.7849121 0.60 904.5444336 0.10 907.4975586 0.91 909.0058594 0.37 909.6405029 0.32 912.4176025 0.94 913.1508789 1.56 915.1949463 1.84 917.8369141 2.22 920.2482910 2.92 929.1036377 0.66 930.1856689 4.35 931.2598877 1.30 933.3165283 0.43 934.1226807 0.78 936.1290283 1.04 937.1271973 0.85 939.1483154 5.08 940.1124268 0.28 941.4229736 0.27 942.8250732 1.70 943.5878906 0.50 945.3133545 20.17 946.6652832 2.21 948.6385498 0.52 951.3999023 0.98 952.6534424 3.39 954.5989990 2.82 955.4637451 1.63 956.3868408 0.13 957.1643066 3.25 957.9390869 3.07 958.9210205 2.01 961.4224854 1.05 962.6844482 5.04 963.4334717 0.40 964.3785400 0.46 965.4149170 0.51 966.3354492 0.95 967.3607178 2.01 968.2615967 6.55 969.2493896 2.25 970.0360107 3.37 972.5306396 2.63 973.5963135 15.02 974.3732910 0.55 975.3776855 0.35 977.0152588 1.52 978.3814697 2.36 979.4526367 5.33 980.1579590 0.71 981.2849121 7.39 982.7761230 3.89 983.6242676 0.56 984.4814453 3.56 986.6682129 0.49 988.3740234 3.32 989.7371826 5.20 990.4537354 5.84 991.9113770 5.91 992.8575439 2.50 994.1909180 18.83 995.2468262 15.21 996.2441406 8.91 997.1520996 4.65 997.8461914 6.37 998.5979004 2.00 999.8688965 1.80 1001.1213380 11.58 1001.9384770 5.73 1003.4389650 2.86 1004.5014650 5.04 1005.6445310 0.57 1006.2841800 0.77 1007.4301760 20.66 1008.2653810 6.28 1009.3012700 3.30 1010.3623050 4.68 1011.3933110 2.92 1012.2866210 3.73 1013.3408200 14.94 1013.9628910 2.36 1014.6789550 1.38 1015.4052730 4.63 1016.0272220 4.77 1017.0284420 4.27 1017.7769780 7.08 1018.7390140 5.51 1020.0349120 3.21 1020.9786380 6.91 1021.7432860 1.00 1022.5866700 4.67 1024.3024900 24.71 1025.7070310 10.81 1026.5263670 0.35 1027.6503910 4.33 1028.2963870 1.20 1029.5996090 26.22 1030.2136230 20.52 1030.9064940 5.85 1031.7551270 6.18 1032.7416990 4.04 1034.1047360 7.46 1035.2232670 57.83 1036.0013430 7.54 1036.7460940 1.46 1038.1329350 2.03 1039.7069090 33.03 1040.6184080 19.34 1041.5693360 36.79 1042.6027830 0.43 1043.8032230 2.07 1045.5375980 73.98 1046.2626950 19.19 1047.3216550 2.27 1048.0948490 0.33 1049.3747560 10.14 1050.0147710 10.07 1050.7155760 1.09 1052.4249270 11.67 1053.4179690 7.10 1054.1226810 0.46 1055.1225590 6.83 1056.2576900 6.87 1058.4790040 36.42 1059.1811520 24.73 1060.1535640 3.05 1061.1779790 11.35 1061.9451900 13.51 1063.3062740 9.15 1064.4992680 100.00 1065.5411380 11.02 1067.0682370 38.43 1067.7589110 64.31 1068.8859860 1.71 1069.7723390 7.85 1070.5096440 4.62 1073.1702880 1.45 1073.8593750 0.69 1080.1065670 0.68 1086.8001710 0.68 1089.6767580 0.77 1097.4284670 0.19 1099.8046880 0.13 1104.3038330 1.73 1113.1546630 0.85 1120.6065670 0.66 1124.0505370 0.28 1125.5604250 0.46 1127.2200930 1.01 1133.8914790 0.35 1135.6499020 1.08 1141.1314700 1.32 1145.8636470 0.32 1152.6878660 0.75 1154.5026860 0.28 1157.6936040 0.96 1158.4464110 0.82 1167.3024900 1.46 1168.2844240 0.38 1172.8790280 0.82 1173.6643070 1.16 1175.5888670 0.43 1178.7454830 2.08 1182.5858150 0.55 1183.6354980 0.17 1184.2655030 1.51 1190.0053710 0.66 1190.7646480 1.88 1198.7103270 0.46 1200.7572020 0.92 1202.5423580 0.41 1206.9146730 1.67 1208.3891600 0.09 1209.0361330 0.82 1210.9095460 0.61 1216.5405270 0.32 1217.8334960 0.22 1219.4978030 0.28 1221.0812990 3.88 1222.7348630 1.10 1224.3776860 0.58 1228.8437500 3.16 1229.5789790 0.77 1232.6309810 0.51 1233.7869870 0.20 1234.6110840 1.15 1238.4837650 0.13 1239.7023930 0.66 1241.6915280 1.01 1242.5139160 1.61 1248.0037840 2.03 1248.7685550 0.70 1249.5386960 0.13 1253.6904300 1.59 1257.5488280 1.89 1259.6560060 0.41 1263.5656740 0.71 1264.7420650 1.38 1268.2077640 2.25 1269.6403810 1.79 1270.3651120 1.11 1273.4704590 0.62 1274.8599850 0.88 1275.5537110 2.09 1276.6185300 0.83 1277.5028080 0.36 1281.2495120 0.80 1282.8326420 1.81 1283.9692380 1.56 1284.9300540 0.60 1285.8999020 0.58 1288.8964840 2.03 1291.0673830 1.29 1291.9746090 1.19 1293.0610350 7.61 1294.7573240 1.18 1300.7963870 12.27 1301.6923830 4.11 1302.4395750 0.29 1303.5346680 0.50 1305.9812010 0.64 1307.4912110 0.76 1309.8111570 3.82 1312.0113530 1.95 1314.5260010 2.42 1317.6121830 6.12 1318.7988280 1.34 1320.0040280 2.37 1325.0257570 6.37 1325.9871830 8.99 1326.8265380 0.10 1328.8797610 2.00 1331.1396480 1.71 1331.8117680 1.92 1332.8560790 4.72 1333.8706050 15.16 1334.7727050 9.89 1336.3038330 0.40 1341.5441890 0.23 1342.4395750 0.46 1344.1248780 0.35 1345.0706790 1.58 1346.7485350 2.57 1347.9632570 0.24 1351.1556400 1.91 1352.3743900 2.95 1355.3579100 0.42 1356.8605960 0.98 1359.2902830 4.51 1360.5081790 6.09 1361.3283690 0.52 1362.3817140 0.79 1364.2509770 1.34 1365.1590580 0.13 1368.5565190 4.16 1369.6745610 2.47 1371.8714600 0.19 1372.9660640 1.08 1373.9436040 1.03 1374.6488040 0.56 1375.3664550 2.59 1376.0103760 0.51 1376.6524660 2.28 1377.8441160 0.48 1379.4882810 1.25 1381.7427980 0.25 1385.0303960 2.33 1385.8614500 1.51 1388.0649410 1.02 1388.6971440 0.32 1390.0174560 2.16 1390.6842040 0.28 1391.5020750 0.80 1393.1798100 1.78 1395.0543210 1.16 1397.4205320 2.10 1398.4895020 0.64 1400.1418460 2.99 1401.1229250 4.88 1401.9776610 1.39 1402.8614500 1.59 1404.1553960 1.41 1405.2703860 0.41 1408.0946040 13.35 1408.9523930 22.24 1410.0670170 1.25 1411.1030270 6.22 1411.9412840 1.91 1412.7761230 0.40 1414.6567380 2.88 1416.6810300 33.26 1417.4471440 38.09 1418.1990970 14.06 1420.3961180 2.34 1423.0963130 2.55 1424.0971680 3.44 1425.2133790 6.35 1426.0994870 1.20 1428.5357670 2.70 1429.4600830 0.88 1433.9906010 2.45 1434.9154050 2.15 1436.8630370 2.83 1437.9833980 1.78 1440.3818360 3.10 1441.2950440 1.15 1442.2938230 2.77 1443.2197270 5.72 1443.8460690 0.08 1446.2116700 3.64 1450.5911870 2.06 1452.1007080 13.15 1453.0394290 4.15 1454.2620850 0.40 1457.2755130 3.20 1458.4925540 2.32 1459.5174560 9.86 1460.5733640 5.24 1461.3050540 2.15 1462.1971440 2.49 1462.8377690 2.12 1463.5137940 3.95 1464.3348390 2.07 1465.4482420 3.18 1466.3726810 1.52 1467.5244140 7.43 1468.4057620 16.32 1469.2059330 7.32 1469.8465580 0.38 1470.7121580 0.56 1471.4324950 4.55 1473.8140870 9.40 1474.4429930 0.65 1475.2252200 1.82 1476.1402590 2.47 1476.8143310 0.74 1478.2279050 0.42 1479.5161130 0.59 1480.1248780 0.52 1481.7774660 2.67 1482.6080320 0.45 1484.2508540 4.38 1484.9431150 3.64 1485.6197510 3.52 1487.5662840 1.57 1488.4490970 0.23 1490.3604740 6.67 1491.4493410 8.35 1492.0909420 0.07 1492.8789060 1.12 1495.3768310 1.78 1496.7065430 1.33 1497.6630860 0.87 1500.4559330 6.25 1501.1828610 0.86 1502.7181400 1.93 1510.1047360 3.84 1511.0407710 3.13 1511.7755130 0.83 1515.5738530 2.00 1518.6680910 7.07 1519.4755860 15.38 1520.2053220 2.57 1521.8284910 0.87 1522.5452880 1.28 1523.4144290 1.13 1524.2010500 1.03 1527.8265380 2.60 1530.0468750 0.29 1531.0079350 1.15 1531.9055180 3.25 1533.1721190 1.92 1533.7911380 0.60 1535.0172120 0.89 1536.0521240 2.61 1536.8710940 3.91 1539.2930910 0.98 1540.9946290 1.76 1544.2996830 5.07 1545.2637940 2.63 1547.6658940 2.70 1549.5643310 0.92 1551.7410890 1.54 1552.9107670 1.71 1555.0521240 0.42 1556.9549560 1.31 1558.5822750 2.22 1559.6075440 2.64 1561.0697020 2.15 1561.8419190 3.18 1566.0664060 2.25 1567.2285160 1.58 1567.8393550 1.30 1568.4510500 3.50 1569.8016360 0.20 1574.7757570 1.04 1575.6488040 1.83 1581.7432860 0.77 1612.0137940 0.56 1613.2139890 0.20 1617.6506350 0.62 1619.8916020 0.92 1624.1036380 0.61 1636.6682130 0.61 1677.6492920 0.43 1707.0494380 0.24 1710.9997560 1.06 1714.1052250 0.52 1717.8903810 0.35 1719.8609620 0.69 1724.0604250 0.41 1724.9517820 0.13 1768.5328370 0.26 1770.7517090 0.33 1772.3814700 0.50 1799.9772950 0.41 1810.9842530 0.23 1860.0490720 0.29 1889.8411870 0.29 1913.7991940 0.54 1921.8973390 0.67 1974.1444090 0.71 1989.5198970 0.81 1992.7154540 1.35 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 837.3192 Annotation Unknow Peak:m/z Relative Intensity 471.1630249 0.03 475.3780518 0.01 486.2623901 0.01 517.3450317 0.10 518.4289551 0.02 563.0801392 0.01 583.2291260 0.06 592.6588745 0.08 596.3088989 0.02 614.2317505 0.05 638.4982300 0.01 650.3344116 0.01 657.6430664 0.09 675.0699463 0.02 682.6910400 0.02 686.2960815 0.02 693.4855347 0.04 701.5202637 0.14 704.7135620 0.06 709.4709473 0.03 713.4430542 0.07 717.4491577 0.02 719.4748535 0.16 720.2761841 0.12 725.9960938 0.07 728.7922974 0.05 743.1882935 0.09 744.6260376 0.07 746.6248779 0.01 747.5753174 0.06 757.3553467 0.02 758.2433472 0.01 760.5000610 0.06 761.4670410 1.60 762.3466187 0.67 763.4442139 0.02 764.6945190 0.12 766.6465454 0.01 775.5962524 0.14 777.5650024 0.25 778.6383667 0.08 787.4268188 0.23 788.4487915 0.25 793.3235474 0.20 794.5276489 0.05 801.4539795 0.05 805.4015503 100.00 806.3841553 43.50 807.0526733 0.34 810.8400269 0.03 819.3239136 0.40 820.4173584 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1139.4082 Annotation Unknow Peak:m/z Relative Intensity 323.1209412 1.71 324.1593323 0.11 326.2768555 0.18 330.1004333 0.52 341.1003113 0.55 345.1827698 0.70 370.9408875 0.32 382.5367126 1.14 383.2959595 12.44 384.1116028 0.53 393.9468994 0.22 398.3017883 0.14 406.5030518 0.14 426.3863525 0.21 436.4057617 0.16 442.3471680 0.54 444.3872375 0.06 454.9347229 1.23 456.2302246 0.36 462.1770325 0.39 466.7311707 0.20 473.1419373 3.42 474.2883301 0.19 482.9210205 0.47 485.0953369 0.13 515.1986084 19.47 516.2405396 3.56 526.2252197 2.47 533.3329468 2.71 534.3370361 0.64 542.3043823 0.10 544.0604858 0.45 549.8181763 0.09 550.5217285 0.15 557.0438843 1.74 562.0836182 0.28 568.4346924 0.14 571.3958740 0.14 574.6866455 0.72 575.3363037 0.26 576.0267334 0.07 578.4090576 1.61 579.5168457 0.32 587.3206787 0.49 612.3040771 0.27 616.7556152 0.79 621.2446289 1.05 622.5778809 0.08 623.3410645 0.46 630.3565063 0.80 639.3701172 0.23 640.3537598 0.22 647.2507935 9.14 648.2786865 4.11 658.3973389 0.99 659.2705078 0.71 664.5465088 0.17 665.2117920 1.83 669.5903320 0.32 694.3014526 0.22 714.4551392 0.16 719.2476807 0.12 736.1878052 0.35 737.1303101 0.36 753.9907227 0.19 754.6198730 0.31 755.3170166 0.31 757.5960693 0.10 765.1789551 0.14 778.5906982 0.08 796.2897949 1.29 796.9984131 0.29 798.4499512 0.06 811.9285889 0.15 825.5815430 0.06 838.3194580 0.70 839.1289062 0.16 845.2352295 0.24 854.0004883 0.72 854.6236572 0.30 855.6395264 0.22 856.2766113 0.53 872.0092773 0.42 875.2985840 4.55 876.4239502 0.37 898.1684570 0.47 906.4642334 0.19 911.1024170 0.11 915.2552490 0.73 916.1033936 0.46 920.4342041 2.22 921.3298340 0.92 932.1203613 0.28 947.4348145 0.61 948.4813232 0.36 957.0111084 0.11 958.3829346 0.59 959.2427979 0.27 963.5194092 3.16 964.3272705 1.95 971.4305420 0.16 972.5095215 0.36 975.4653320 3.30 976.4813232 0.10 989.3205566 30.10 990.3814697 10.08 993.3166504 0.66 1007.3900150 8.56 1008.3631590 0.97 1036.7639160 0.19 1052.5120850 2.26 1053.4851070 1.92 1055.9378660 0.16 1062.4946290 0.41 1079.6628420 0.55 1095.4095460 5.42 1096.3791500 5.54 1097.0856930 0.63 1097.7355960 0.27 1102.9531250 0.21 1103.6090090 0.80 1104.4737550 2.90 1105.4696040 1.02 1116.2164310 0.34 1117.6383060 0.44 1121.3452150 100.00 1122.3367920 49.99 1123.4057620 10.94 1124.0189210 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1303.56 Annotation Unknow Peak:m/z Relative Intensity 995.6767578 0.21 997.5739746 14.64 1113.6895750 0.09 1155.8693850 0.69 1173.5888670 100.00 1201.3673100 0.31 1231.2648930 0.88 1255.5242920 0.06 1285.4838870 7.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 506.2087 Annotation Unknow Peak:m/z Relative Intensity 190.5070801 0.05 206.9318542 0.28 322.3938599 0.46 329.3024902 0.13 380.4611206 0.07 385.4596252 0.07 402.2875671 13.80 403.2784729 0.22 427.3059998 0.28 430.4365234 0.08 446.3595886 0.02 455.1462097 0.14 458.0957947 0.13 461.5702209 0.03 469.2329407 0.16 483.0984802 8.46 484.3220520 0.30 627.5468140 0.37 641.5554199 0.23 645.5270996 0.28 685.4397583 0.05 761.5057983 0.08 803.7222900 0.41 805.2260132 6.70 807.5402222 1.18 865.4831543 0.41 907.3129883 0.09 923.3330688 0.40 967.3339844 100.00 968.1069336 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 77.06279755 0.35 79.05110168 0.24 95.97723389 0.18 103.1041107 0.67 104.0365143 0.25 105.0483246 0.44 106.00354 0.41 107.1355591 0.19 107.9016876 0.38 109.8844299 1.02 116.0066986 0.71 124.8818817 0.29 128.8990784 6.11 130.0605316 6.96 141.1284637 0.78 141.8899078 0.26 145.9801178 0.78 148.2089233 0.16 150.0960846 0.49 151.0978699 34.44 152.0539398 31.05 153.0958405 1.28 154.1137848 0.27 155.14328 0.54 156.2194977 0.42 157.212677 0.89 158.0941162 0.20 159.159256 0.74 166.1941833 0.42 167.0199432 0.94 168.0054474 1.24 169.8907318 2.63 172.0045166 0.17 175.9278564 1.49 178.3503418 0.31 179.2223969 0.89 179.9573669 0.42 180.9121399 0.47 183.1507568 0.17 184.9797211 0.74 185.9278564 1.28 188.1090851 1.16 192.9551849 0.15 193.7837982 0.73 195.2117462 0.95 196.9062347 2.63 198.0870819 4.72 205.9427338 1.08 208.2358551 0.48 209.0121613 0.41 210.1766357 0.18 211.0088654 0.99 212.2401886 1.60 213.0037537 0.99 217.9769135 3.16 219.0557861 0.61 221.9934845 0.25 223.361618 0.53 225.2208405 1.31 226.0484009 4.02 235.1387482 1.89 236.1299438 6.19 238.1714478 3.23 238.9373627 6.60 239.543335 0.28 250.8325348 0.28 253.0919647 100.00 254.0897217 60.08 255.098465 0.56 263.3582458 0.75 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 605.1717 Annotation Unknow Peak:m/z Relative Intensity 175.2987061 0.31 181.2494049 0.21 193.1632996 1.81 199.1751099 0.38 203.4464569 0.22 205.1364136 0.18 221.3556213 0.11 249.1788635 1.66 253.2223206 0.18 265.2669983 0.17 267.1029663 9.76 275.3262329 0.06 285.1882324 0.23 287.2368469 0.09 300.3763428 0.06 323.2249756 0.19 339.3648071 0.40 343.2946777 0.61 349.1365967 1.99 355.2352905 0.31 363.0930786 0.26 367.1919556 0.70 373.2918701 0.08 376.3446045 0.12 381.3568115 1.63 383.3287354 0.08 386.2234497 0.24 387.1925049 0.12 389.2238770 0.06 391.5130615 0.07 397.1314697 0.11 398.8352051 0.11 399.5939941 0.07 400.3057861 0.26 401.2412720 1.32 407.2498169 0.49 410.7040405 0.54 411.4177246 2.61 425.1397705 35.66 426.0030518 0.31 429.3903809 0.37 443.2851562 100.00 444.3361206 0.14 446.6819458 0.07 449.2628784 0.08 454.3693848 0.23 455.6474609 0.10 459.4235840 0.10 466.7431030 0.30 467.4040527 0.63 468.4804077 0.30 469.2885742 0.16 483.4434204 0.16 485.2162476 1.36 489.3060913 0.11 490.4686890 0.32 496.0471191 0.19 503.1442261 0.08 506.9097290 0.14 518.3446655 0.33 519.3265991 0.16 525.4296875 0.11 529.5138550 0.13 533.1941528 0.14 542.2985840 0.06 545.5600586 0.07 555.0617065 0.13 557.3871460 1.95 558.5975952 0.16 559.2224731 0.20 560.9800415 0.76 562.2799072 0.08 569.1616211 0.18 571.1586914 0.28 572.5285034 0.12 573.5060425 0.31 586.8652344 1.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 519.078 Annotation 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide Peak:m/z Relative Intensity 174.9593353 0.34 325.0313110 0.02 328.1868286 1.61 341.2579346 0.02 343.1021118 100.00 343.9207764 0.01 385.2658691 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 981.3625 Annotation Unknow Peak:m/z Relative Intensity 283.2450867 0.31 295.0494690 0.05 297.0839844 2.22 298.1173401 0.19 309.4155273 0.24 313.1077881 0.06 316.5846558 0.21 317.3092041 0.14 320.3634644 0.67 339.9332886 0.07 346.3535461 0.23 349.1652222 0.77 350.5043335 0.07 364.2833557 0.05 368.2045898 1.87 370.1311035 0.23 387.4440002 0.25 389.3422546 0.72 401.2299805 0.55 409.1108704 0.15 420.9766846 0.19 437.0757446 0.11 442.2604980 0.43 458.1921387 0.16 459.0715942 0.16 471.4232483 0.27 482.1697998 0.27 487.3746948 0.47 488.3700562 0.18 489.5819092 0.15 495.1486206 0.53 497.2258301 0.23 506.5168457 0.64 508.3623962 0.15 515.3639526 0.82 517.5847168 0.27 533.4473877 0.71 550.4996338 0.18 557.6632080 0.59 585.6243286 0.36 602.4262085 0.24 622.4226685 0.18 634.7431641 0.13 635.9354858 0.45 644.5676270 0.44 650.7299805 0.45 651.8724365 0.24 652.7804565 0.19 668.4715576 0.23 674.9683838 0.54 683.4365234 0.29 684.5326538 0.35 698.2715454 0.20 704.0885010 0.13 707.4070435 0.45 713.5336304 0.08 734.6712646 0.15 745.3727417 0.14 775.5249023 0.32 778.7581787 0.52 781.9528809 0.62 791.4785156 0.77 797.3341064 0.20 799.5749512 0.71 809.9693604 0.06 815.5070801 0.67 816.4294434 0.25 818.5762939 0.76 821.5678711 0.31 824.2424316 0.27 829.4172363 0.05 830.0539551 0.78 840.7770996 0.60 841.6386719 0.06 842.9067383 0.71 845.8817139 0.17 849.8424072 0.59 854.0668945 1.64 858.6667480 0.46 859.3660889 1.88 860.0816650 0.53 862.1452637 0.07 863.3079834 1.78 864.4599609 1.31 865.8685303 1.38 867.3403320 0.74 868.6895752 0.21 869.6529541 0.46 870.5355225 1.33 871.6984863 0.48 873.6562500 0.19 876.2727051 1.51 877.2344971 0.73 878.0998535 0.58 880.4375000 0.99 881.6025391 3.02 882.8718262 3.65 883.7189941 0.98 884.9959717 1.65 885.5980225 0.26 886.6203613 1.30 887.3616943 1.26 888.7823486 2.53 889.8382568 5.32 890.5671387 1.22 891.2465820 0.65 892.0466309 2.87 893.0102539 0.50 893.7139893 0.50 895.0114746 1.40 895.9274902 2.78 896.6304932 6.58 898.1447754 7.43 898.9661865 0.13 902.1931152 16.57 903.8146973 3.98 904.7945557 2.34 906.2838135 0.84 909.8389893 2.60 911.6027832 1.37 913.5148926 0.76 914.4271240 1.24 915.6030273 3.97 916.6594238 3.13 919.3968506 2.56 920.7648926 2.72 921.6358643 7.47 922.3347168 0.67 923.1507568 1.02 924.1252441 0.53 925.0895996 2.15 925.6914062 0.66 927.2359619 12.13 928.0290527 3.41 928.8636475 2.50 930.5576172 1.23 932.6787109 10.09 933.4545898 2.36 934.2435303 4.19 934.8645020 0.93 936.0989990 3.40 937.4360352 3.08 938.1782227 5.79 938.8959961 0.80 940.2741699 2.49 941.1942139 0.34 942.6721191 0.51 943.8178711 7.69 944.5439453 0.88 945.1562500 0.22 945.8920898 0.89 946.6715088 1.52 948.0551758 5.02 948.8593750 1.99 950.3493652 1.26 951.3629150 3.76 952.1589355 3.15 954.3508301 3.52 955.3605957 1.22 956.1447754 0.14 956.8520508 1.21 957.6580811 2.42 958.3115234 7.25 960.1502686 3.18 960.7969971 9.66 961.7224121 6.76 962.8785400 2.43 964.0002441 25.13 964.7170410 26.98 966.4802246 49.76 967.1828613 16.79 968.3381348 0.27 970.0653076 100.00 970.8869629 8.04 972.4895020 5.09 974.0700684 0.39 976.4031982 0.06 982.6314697 0.45 991.3483887 0.08 1007.1599120 0.05 1012.5482180 0.52 1020.9301760 0.54 1022.6494140 0.27 1029.3754880 0.18 1040.6367190 0.13 1041.4714360 0.21 1042.9328610 0.21 1049.3757320 0.85 1056.5135500 1.33 1065.0882570 1.07 1070.5090330 0.33 1074.9548340 0.31 1078.2080080 0.60 1091.4785160 0.24 1094.8967290 0.47 1098.4998780 1.68 1099.6453860 0.18 1100.8811040 0.29 1102.4567870 0.29 1110.1376950 0.14 1112.7683110 0.19 1114.6204830 0.06 1122.2950440 0.21 1128.5142820 0.49 1129.5339360 0.49 1130.6181640 0.40 1133.0991210 0.71 1133.7414550 0.51 1136.2653810 0.14 1137.0147710 0.38 1137.9377440 0.47 1139.1507570 1.52 1140.1290280 1.15 1141.3198240 0.68 1144.0622560 0.58 1145.5434570 0.33 1146.8521730 0.59 1148.9499510 0.17 1150.0505370 0.37 1151.6105960 0.45 1153.8237300 1.52 1155.2656250 0.89 1158.9061280 0.47 1161.1291500 0.49 1162.7934570 1.98 1163.5117190 2.98 1164.3549800 0.19 1165.2136230 0.38 1166.3431400 1.10 1167.5075680 0.37 1170.2700200 0.50 1171.1204830 0.45 1171.8093260 0.61 1172.5682370 0.42 1175.5534670 0.16 1176.7805180 0.25 1178.1071780 0.18 1179.2639160 0.45 1181.2595210 0.36 1185.2297360 0.39 1187.1801760 0.28 1187.9619140 0.07 1189.1411130 0.21 1196.3409420 3.40 1197.3894040 2.37 1198.0290530 0.45 1200.9879150 0.23 1202.4003910 0.23 1205.7961430 4.95 1206.8745120 0.74 1209.0056150 0.54 1210.7138670 0.56 1212.6818850 0.32 1215.3333740 0.52 1217.1757810 1.47 1221.0861820 0.70 1222.3095700 0.13 1227.1413570 0.34 1228.2032470 0.64 1229.2468260 0.90 1233.1130370 1.78 1234.3400880 3.96 1235.2526860 1.63 1236.0452880 0.20 1236.9246830 0.31 1237.8258060 0.22 1239.0892330 0.45 1239.9537350 0.32 1244.9990230 1.89 1245.6501460 1.28 1249.6689450 2.59 1250.6655270 1.49 1252.1853030 0.96 1253.2070310 1.11 1254.1745610 2.12 1255.2268070 1.96 1256.8535160 1.85 1258.4003910 0.78 1259.6027830 0.71 1260.6370850 1.28 1262.5762940 1.77 1263.2851560 4.02 1264.2875980 2.48 1265.4268800 0.93 1266.4881590 1.93 1267.4318850 1.98 1268.7575680 4.88 1270.2880860 2.27 1271.3911130 6.39 1272.7127690 3.49 1273.3632810 0.20 1274.4125980 0.55 1275.9620360 0.32 1276.8479000 0.84 1277.6359860 2.11 1278.8750000 3.82 1279.7429200 12.89 1280.8864750 5.38 1283.7808840 0.55 1284.3890380 1.08 1285.6190190 0.71 1288.4021000 20.71 1289.2193600 9.00 1291.1097410 0.67 1293.4061280 0.99 1295.8085940 0.62 1297.3214110 1.61 1298.2019040 1.87 1300.0201420 1.92 1300.7697750 0.62 1302.6353760 0.46 1303.4680180 0.89 1304.4046630 0.41 1306.4595950 2.07 1307.5802000 2.12 1310.1080320 0.33 1310.7791750 0.46 1314.2897950 1.44 1315.4426270 2.98 1316.4576420 3.09 1317.5278320 0.59 1318.2005620 0.13 1319.9959720 1.02 1321.6356200 0.95 1323.9591060 0.78 1324.8135990 3.04 1327.0936280 0.79 1329.4190670 1.20 1332.3353270 1.50 1333.0843510 0.31 1334.7894290 1.04 1335.6015620 0.60 1337.3963620 0.29 1338.2532960 0.57 1339.3651120 0.79 1340.7618410 3.38 1341.5684810 3.04 1342.3756100 1.47 1343.4528810 1.24 1344.1076660 1.14 1344.7270510 1.24 1345.6151120 1.19 1347.0290530 2.57 1348.8724370 1.23 1350.3002930 1.72 1351.5963130 3.10 1352.9080810 7.14 1355.5098880 2.83 1357.4866940 0.40 1358.2602540 0.51 1360.2974850 0.52 1362.4244380 0.10 1363.3004150 0.59 1364.4592290 1.89 1365.7305910 0.09 1366.8559570 0.90 1367.9400630 2.95 1368.9313960 1.30 1369.8774410 0.19 1370.7000730 1.39 1371.6201170 1.10 1372.8502200 3.34 1373.9174800 1.42 1374.8629150 1.18 1375.9078370 0.71 1378.6735840 0.17 1379.7551270 0.69 1381.5413820 8.25 1382.5306400 2.83 1384.7250980 0.28 1386.0245360 1.09 1387.0838620 1.78 1388.4305420 1.45 1389.4694820 0.92 1390.4289550 13.14 1391.2202150 5.73 1392.1136470 1.43 1393.2379150 0.10 1394.5401610 0.85 1395.9417720 1.08 1398.2681880 2.93 1399.7720950 0.04 1400.5323490 0.50 1401.2225340 0.79 1403.6861570 0.58 1404.3597410 0.14 1405.1529540 0.70 1406.1319580 1.27 1406.9154050 2.45 1407.9271240 0.65 1411.6130370 0.19 1414.2706300 0.47 1415.8233640 1.81 1420.0045170 0.78 1421.6040040 0.19 1423.7482910 0.64 1424.7542720 0.39 1427.6431880 0.33 1428.6219480 1.17 1429.5881350 0.33 1437.4447020 0.30 1438.4224850 1.19 1440.4472660 0.05 1442.3291020 0.24 1450.1484380 0.09 1452.2824710 0.37 1460.5203860 0.12 1470.9606930 0.42 1493.0693360 0.22 1494.4205320 0.14 1513.1683350 0.19 1515.8338620 0.18 1520.3834230 0.30 1531.0952150 0.06 1532.4945070 0.14 1543.8612060 0.10 1568.5952150 0.10 1584.9182130 0.27 1600.7066650 0.19 1611.9608150 0.37 1612.8071290 0.09 1619.7722170 0.19 1622.8153080 0.15 1638.4315190 0.54 1651.9456790 0.10 1720.6511230 0.11 1755.6817630 0.32 1771.9406740 0.18 1777.7940670 0.19 1778.6652830 0.13 1797.3399660 0.20 1801.3006590 0.14 1812.8082280 0.15 1854.6717530 0.67 1885.9641110 0.10 1939.7438960 0.37 1951.1356200 0.06 1969.8778080 0.21 1996.5065920 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 763.2824 Annotation Unknow Peak:m/z Relative Intensity 301.3417358 0.03 306.0776367 0.08 345.2935486 0.01 354.2021484 0.04 357.3751831 0.03 399.5569458 0.08 423.3604736 0.09 439.4882812 0.16 451.2557373 0.05 477.0334473 0.06 493.3937378 0.02 502.2384644 0.09 512.2880249 0.01 513.5103149 0.08 533.9809570 0.09 536.2401123 0.01 538.2844238 0.01 541.5652466 0.04 542.4213867 0.03 551.5065308 0.07 555.5846558 0.02 557.5050049 0.07 561.5830688 0.02 562.3785400 0.10 566.3013306 0.11 582.5278320 0.04 583.4409180 0.03 586.6361694 0.03 587.7072144 0.09 601.6230469 0.05 624.4912109 0.02 627.2910156 0.07 632.1961060 0.03 639.4437866 0.02 641.2262573 0.23 642.4970093 0.03 643.5604858 0.02 647.5385132 0.10 659.3062744 3.85 666.4177246 0.19 668.9869385 0.09 672.5730591 0.03 674.6609497 0.06 677.4173584 0.30 682.6400757 0.02 683.8165283 0.09 687.3538818 2.34 687.9542236 0.01 697.0147705 0.08 701.3162231 0.73 703.6127319 0.01 712.6677856 0.02 715.4375610 0.04 719.2674561 100.00 720.2112427 0.02 723.9421387 0.02 725.0917969 0.08 730.2602539 0.06 731.1378784 0.21 732.2097778 0.02 733.3578491 0.04 737.8567505 0.03 738.9852295 0.01 740.9492188 0.04 743.3051147 0.02 744.3720093 0.08 745.2683716 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 963.2396 Annotation Quercetin 3-(6''''-ferulylsophorotrioside) Peak:m/z Relative Intensity 287.2130432 0.02 288.1255798 0.01 312.2846680 0.01 315.1052246 0.22 316.2093201 0.16 323.2566223 0.03 328.2243042 0.05 329.0581665 0.06 330.1470947 0.54 331.1270752 0.54 335.0859375 0.02 341.4294434 0.03 351.3397217 0.02 353.0119629 0.01 354.6069336 0.02 370.0477295 0.02 373.2216187 0.26 374.1434937 0.02 383.2214355 0.02 387.3302612 0.05 397.0922546 0.04 403.1714172 0.11 423.9671021 0.01 439.0913086 0.04 454.9375000 0.05 463.4411621 0.02 467.2135010 0.04 473.2328491 0.01 481.7395020 0.05 485.2050171 0.12 490.0858154 0.05 505.1074219 0.21 509.2515869 0.04 514.5198364 0.03 523.4611206 0.03 527.1017456 0.05 575.4123535 0.05 577.5186768 0.02 578.1478271 0.04 593.4854126 0.03 598.8675537 0.04 613.5468750 0.06 617.4035034 0.26 619.2146606 0.03 625.3057251 0.02 637.2422485 0.46 651.1680908 0.01 655.3336182 0.34 657.1431274 0.04 659.8766479 0.01 669.2843018 0.03 706.0308228 0.04 769.3412476 7.59 770.6557617 0.04 771.2967529 0.04 781.6220093 0.03 783.4107056 0.01 787.2410278 100.00 787.8768311 0.28 801.2951050 9.64 802.0142822 0.04 813.1856079 0.24 816.1580200 0.03 817.3799438 0.04 831.2991333 0.68 873.2331543 0.02 904.5317993 0.09 915.6531982 0.02 919.4158936 0.04 931.4091187 0.04 944.7658081 0.02 945.7196655 0.01 948.2805786 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 246.12 Annotation 4-Acetamidoantipyrin Peak:m/z Relative Intensity 84.1833725 0.77 88.82426453 2.42 99.82028198 2.06 114.0431671 12.72 116.1139679 14.71 117.9388885 4.75 120.218689 1.98 126.1657104 1.98 133.2702026 4.36 134.0374146 20.64 144.933609 3.66 147.0691071 5.29 156.1325073 18.36 157.0379486 2.91 161.1596375 6.99 162.0939484 1.59 163.8032227 4.41 167.9025269 2.87 170.7977295 15.91 172.0196686 11.62 176.0468597 12.72 183.1913452 3.18 185.9911499 3.25 188.0180969 7.17 195.1993408 4.33 200.1842651 19.08 200.975174 4.38 201.9808197 12.40 203.3944092 1.94 204.6655273 33.49 205.2764587 5.38 210.0531464 4.76 213.8811798 6.87 217.2161865 5.54 218.1111755 28.29 218.8322296 7.53 222.7195892 18.38 223.6861115 30.44 228.1155243 100.00 229.1140594 37.44 231.3314056 3.58 237.5153198 7.76 240.105545 12.88 245.1929474 4.91 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 693.2772 Annotation Unknow Peak:m/z Relative Intensity 229.1222382 0.05 230.1183014 0.04 231.5637207 0.06 239.9347229 0.02 246.3547058 0.02 257.3859558 0.02 263.0587769 0.02 271.1247253 0.23 272.1081543 0.05 273.2723389 0.29 274.2135620 0.33 276.1859741 0.02 290.0913696 0.04 292.4046326 0.04 311.4128113 0.04 317.4133301 0.20 318.2336121 0.34 319.6044922 0.05 323.1215820 0.02 334.0386963 0.41 335.1713867 2.17 336.2231750 1.79 337.2438049 0.14 343.0372314 0.03 355.4948730 0.16 356.2676392 0.09 357.3778687 0.04 371.5114136 0.05 375.3890381 0.02 383.5122681 0.07 387.3114624 0.02 396.3287354 0.08 403.2941895 0.04 425.2576904 0.08 432.3906250 0.03 440.2570801 0.04 443.6538696 0.12 447.5285645 0.05 448.2916260 0.08 450.4340820 0.09 460.4145508 1.02 462.9188232 0.01 464.2658691 0.06 466.2871094 0.14 469.5309448 0.02 474.4999390 0.04 475.7177734 0.03 476.3712158 0.07 478.3269043 0.34 485.7341309 0.05 486.3757324 0.03 490.2745361 0.05 492.1838379 0.19 493.3652344 0.14 494.2919922 0.33 496.5289307 0.06 499.3587646 0.11 504.3185425 9.60 508.2537842 0.40 512.3032837 0.03 513.5136719 0.01 515.5856934 0.12 516.4147339 0.24 517.5112915 0.15 519.4092407 0.03 520.4861450 0.04 522.2763062 0.11 523.5808716 0.03 524.4828491 0.11 525.3899536 0.06 526.7034302 0.06 527.3328857 0.03 529.4456787 0.05 530.9245605 0.03 534.7271729 0.04 536.2566528 100.00 537.3957520 0.12 538.4906006 0.05 539.2897339 0.01 544.2882080 0.01 549.2855225 0.03 556.3269653 0.15 557.4066772 0.74 559.8439331 0.13 561.1169434 0.11 563.9873047 0.05 566.1967163 0.06 567.4300537 0.04 568.3366089 0.02 569.4470825 0.19 571.8082886 0.03 574.2471313 0.02 581.5093384 0.06 585.2889404 0.05 586.4227905 0.03 587.2324829 0.09 588.2168579 0.14 589.4198608 1.47 591.2167358 0.03 592.5574341 0.11 597.3180542 0.09 598.1837769 0.56 599.4212036 0.42 600.3102417 0.16 601.3178101 2.22 602.5536499 0.05 604.9968872 0.17 605.6013184 0.03 612.1221313 0.15 613.0004883 0.03 613.7653198 0.03 615.0421753 0.47 616.2511597 1.36 617.3758545 2.69 618.2727051 0.03 619.2546997 1.15 620.4021606 0.17 625.5327759 0.14 629.7770386 0.04 630.6083984 0.28 631.3484497 0.77 632.2965698 3.04 633.3120117 4.50 635.4386597 0.11 639.5856934 0.05 642.3338013 2.06 643.3373413 4.44 646.6217651 0.09 647.6829224 0.34 648.5972900 0.45 649.3392944 2.85 649.9434204 0.02 655.0175171 0.18 655.6677856 0.11 656.5058594 0.30 657.3301392 0.33 660.4528198 12.29 661.3602905 84.81 662.5166626 0.28 664.5255737 0.06 665.4801636 0.11 670.5283813 0.21 673.6149292 0.30 674.4404907 4.04 675.3826294 7.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 679.37 Annotation Medicagenic acid 3-O-b-D-glucuronide Peak:m/z Relative Intensity 196.2483826 0.05 199.3784637 0.07 204.0474548 0.35 218.1756744 0.02 236.4213715 0.03 246.0896759 0.08 250.2815399 0.04 262.3137207 0.05 273.2557373 0.02 279.2250671 0.08 281.2226257 0.25 283.3170166 0.07 286.9544067 0.11 287.6098328 0.06 297.4207153 0.10 299.1320496 0.62 309.4406433 0.17 311.2081909 0.24 315.0201111 0.88 315.6513062 0.02 320.8468628 0.05 323.1608887 0.32 325.1300659 0.42 337.1969299 1.17 339.1016541 0.28 341.1889343 0.16 346.3385010 0.11 357.1952515 1.63 359.2613525 0.33 365.4950562 0.15 369.2455444 0.67 371.3773193 2.22 373.1066895 0.91 383.0814819 0.84 387.3678589 0.07 396.9788818 0.15 401.1862183 2.35 413.7435913 0.04 415.0393066 0.21 428.2118530 0.03 429.3486328 0.05 433.0690918 0.51 434.1339722 0.15 446.3184204 0.43 450.1485596 0.52 450.7515869 0.05 454.4607544 0.09 457.3390503 0.12 462.5045776 0.01 464.3554077 14.56 466.5561523 0.21 472.4215088 0.20 476.3686523 0.91 477.9508667 0.08 478.6094971 0.30 482.3046265 1.28 490.3675537 10.61 492.1782837 0.26 494.3803711 1.11 496.3884277 0.06 503.2031250 0.12 504.3339233 0.17 508.1810303 8.74 510.2200928 0.80 512.2901611 0.09 514.2150879 2.60 515.2861938 0.05 521.0701294 0.56 522.2503052 91.94 523.3236084 0.45 524.3959351 0.74 526.1692505 5.01 536.3527222 0.10 540.4902344 0.58 542.0458374 0.03 543.0484009 0.10 554.1572266 0.22 583.3920898 0.53 585.2626343 0.69 587.3252563 1.66 588.5336304 0.03 593.5964966 0.27 599.6159668 0.11 601.1361084 0.08 603.2776489 3.84 611.2597046 5.70 611.8913574 0.16 615.1997681 0.03 618.4052734 0.13 619.3466187 4.19 624.9964600 0.09 629.3258667 13.45 630.3251343 0.43 633.2131348 0.08 643.2625122 66.22 643.9376831 0.19 647.3851929 100.00 661.2166138 12.66 662.3200684 2.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 675.12 Annotation 2-O-Acetyl-trans-coutaric acid Peak:m/z Relative Intensity 203.1102905 0.50 215.1224670 0.24 233.0169220 0.09 258.8992615 0.19 277.1311646 5.03 313.2379761 0.20 327.0635681 0.84 337.0093994 10.80 370.5554199 0.12 398.3025513 0.79 416.1807861 0.07 430.1271362 0.24 441.0114136 0.12 442.3988647 0.64 443.3960571 0.26 444.5986328 0.15 445.8910522 0.09 460.1256714 0.20 474.0641479 1.34 474.7721558 0.31 475.6603394 0.07 476.3610229 0.06 481.3292847 0.09 486.3638916 0.26 487.2807617 0.51 488.1522827 0.18 501.1811523 0.64 512.0689087 0.18 518.4871216 1.18 520.1886597 0.77 537.2673950 0.08 539.3757935 3.28 543.0686646 0.14 555.6118774 0.08 557.3042603 0.09 561.3478394 0.12 571.4851074 4.49 581.3885498 1.13 583.3912964 5.23 594.0535278 0.14 595.6636963 0.46 599.3823853 6.68 613.2072144 0.69 613.8130493 0.15 615.3305054 11.51 625.5080566 1.70 631.3958130 8.98 643.3469849 100.00 645.4078979 0.04 657.3446655 4.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 955.4931 Annotation Unknow Peak:m/z Relative Intensity 304.9469604 1.02 319.2158203 0.35 323.1734924 0.69 347.2889404 0.64 365.5305786 0.26 366.6336060 0.60 376.4849854 0.11 397.0061035 0.65 399.3994751 0.17 406.3020630 0.49 407.5325317 1.41 423.0664673 0.28 425.4584351 0.56 426.3482666 0.14 438.8629761 1.42 439.5213623 1.95 455.4758301 89.27 456.4537964 21.44 463.3298340 0.25 466.9846802 0.83 481.1190186 17.63 482.1433105 3.51 483.5042725 2.86 484.5176392 0.97 499.2080688 100.00 500.2062988 10.02 501.3977661 5.00 502.3643799 2.36 511.5902100 0.41 522.1235962 0.14 543.2584229 0.51 569.7701416 0.20 588.5502930 0.31 612.3969116 0.26 731.4939575 0.19 775.8599243 0.31 793.6137695 0.44 823.2977905 1.99 824.5584106 0.82 833.4144897 0.17 834.6184082 0.15 835.5316772 0.70 851.6342163 0.19 893.5306396 0.19 912.0789185 0.14 937.3561401 0.81 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1359.2664 Annotation Unknow Peak:m/z Relative Intensity 379.2721252 0.06 380.1857605 0.19 395.2195129 0.10 406.2650146 0.05 409.0669250 0.05 423.0153198 1.34 424.2888489 0.28 426.2122192 0.04 457.4656372 0.11 485.1242065 17.92 486.2249756 13.77 503.2998962 0.08 679.0500488 100.00 680.0628662 83.24 680.6697998 0.27 681.3949585 0.32 1184.1103520 0.20 1341.7231450 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 761.2674 Annotation Unknow Peak:m/z Relative Intensity 306.4421387 0.05 314.4938049 0.02 317.2678223 0.03 341.2659912 0.08 345.0619202 0.10 392.3431396 0.07 421.4263306 0.04 425.0334473 0.03 432.5048828 0.05 433.4058838 0.06 440.7294922 0.02 469.5924072 0.04 471.7321167 0.12 484.8632202 0.07 501.6939087 0.03 509.2261963 0.02 522.3430786 0.06 531.3182373 0.02 536.3419189 0.03 541.0541382 0.02 545.4901733 0.07 549.3647461 0.02 560.3146362 0.02 571.1658325 0.10 576.7993774 0.14 578.1994629 0.06 579.3824463 0.03 580.7040405 0.12 581.4310913 0.05 583.5638428 0.11 584.4694824 0.06 585.3572388 0.20 588.5631714 0.02 598.3314209 0.01 599.5272217 0.29 604.4373779 0.24 605.5020752 0.05 607.4359741 0.05 617.7080688 0.05 626.3428955 0.12 630.4518433 0.03 632.8035889 0.05 638.2561035 0.04 639.3604126 0.04 641.4661255 0.24 644.9973145 0.13 649.5659790 0.18 653.2910767 0.06 657.5431519 0.03 662.4652710 0.12 665.0421753 0.03 671.5300293 0.03 673.4529419 0.27 674.4347534 0.04 675.2307739 0.22 680.0321655 0.20 684.7600098 0.66 685.4102783 5.92 691.4000854 0.03 696.3482666 0.03 701.4081421 0.02 710.4255981 0.13 711.3783569 0.06 714.1073608 0.31 717.2652588 100.00 717.9330444 0.28 719.0160522 0.02 724.5132446 0.03 725.4710083 0.05 728.3746338 0.46 729.3980103 0.46 730.2732544 0.03 733.7276001 0.04 739.5381470 0.09 742.2223511 0.16 743.6030884 0.14 745.4009399 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 786.5401 Annotation Unknow Peak:m/z Relative Intensity 236.2657471 0.07 274.1414490 0.18 278.7379150 0.58 322.0401611 0.54 332.2093811 0.45 349.2854614 0.51 361.2794800 0.62 362.3529053 0.15 377.4686279 0.90 389.2738037 1.17 390.3634033 0.11 390.9752808 0.12 400.3395996 0.21 401.1175537 0.21 406.2514038 0.14 453.2033081 0.15 456.3690186 0.37 461.2219849 0.08 468.1035156 0.35 510.2261353 1.09 512.3958130 0.13 514.9402466 0.19 524.3572998 0.46 536.0971069 0.13 540.0886841 0.24 542.4291992 0.26 548.3595581 0.88 550.6304932 0.15 559.5500488 0.35 566.5187378 0.13 571.4048462 0.20 595.8356323 0.04 602.7902222 0.19 604.3860474 0.28 611.4084473 0.12 626.2736206 0.13 639.4584351 0.29 655.6646118 0.11 663.4858398 0.16 666.4162598 0.18 670.1989136 0.07 671.5373535 0.28 680.1340942 0.09 698.4785767 0.21 700.3680420 0.21 704.3500366 0.51 708.4891357 0.12 711.5016479 0.16 717.7567139 0.76 719.5496826 0.48 720.6199341 0.61 724.2445679 0.69 725.2484741 1.12 726.3338013 0.90 727.0107422 1.62 728.4597778 4.40 729.0729980 0.04 730.0700073 0.10 735.9744263 0.11 737.2997437 2.58 739.3730469 1.42 740.2182617 3.60 741.0252686 0.25 741.8294067 1.23 742.7231445 0.73 744.5164795 2.17 745.2786255 2.87 746.2564087 6.23 747.3872681 0.58 750.9155884 1.30 751.7101440 0.46 753.0184937 0.94 754.1858521 0.60 755.7726440 3.04 757.0077515 4.18 758.6735229 3.55 759.6880493 3.00 761.4935303 13.08 762.6343384 1.34 764.0786743 16.66 764.9764404 0.35 765.6217651 0.56 766.5930786 6.73 768.0897217 36.44 768.8630981 21.05 769.5236816 8.92 770.7704468 14.18 771.4026489 15.51 772.6386108 2.65 773.6333008 7.10 774.4837036 0.69 775.6526489 24.14 776.3616333 2.45 777.8992920 5.71 778.8796387 3.93 780.3798218 0.24 782.5518799 0.15 789.7447510 0.88 796.2952271 0.34 808.4095459 0.75 809.5250244 0.40 814.8933105 0.17 819.4419556 0.41 820.1370239 1.16 830.9588623 0.14 833.3567505 0.68 834.3165283 0.23 835.6397705 0.12 847.7165527 0.48 849.0398560 1.60 849.8373413 0.30 854.9231567 0.91 856.1043091 0.07 862.3460083 0.90 865.0800781 0.57 872.5003052 0.21 873.7898560 0.81 877.0790405 0.38 878.5012817 0.51 883.8042603 0.54 884.5875854 1.08 886.9747925 0.96 888.1173706 1.90 889.3919067 0.06 890.2836914 0.19 892.4233398 1.64 894.9172974 0.12 897.7292480 0.88 901.0066528 0.14 901.6554565 0.92 906.2921753 0.74 909.8015747 0.62 910.5881348 3.13 912.0441895 0.24 913.2680664 0.25 919.0319214 5.04 919.9021606 0.46 922.5828247 0.86 924.0717773 3.76 925.3507690 0.17 927.4072266 1.06 929.2925415 2.28 930.8411255 1.11 933.1390991 1.76 934.7834473 0.31 936.1689453 2.70 937.8964844 3.61 938.7671509 1.60 939.5139771 0.69 940.5515747 0.48 942.0582886 0.20 944.7094727 0.24 946.7650757 0.35 947.5158081 0.83 948.3609009 1.51 949.4758911 0.30 950.1430054 1.23 951.8309937 2.45 953.3117676 0.23 954.3403320 2.27 955.2033081 0.78 957.4341431 5.34 958.3800659 1.93 959.0563354 2.20 960.1028442 3.20 962.1532593 4.07 963.0598755 2.30 964.2651978 2.04 964.9223633 2.66 968.1274414 5.41 969.5929565 8.18 970.7783813 3.91 971.5142212 0.18 972.1327515 0.30 972.9975586 2.09 973.8021851 2.70 974.8646851 3.18 975.5884399 2.13 976.4485474 0.19 977.5541992 3.73 978.7788696 0.34 979.6163940 1.94 980.5209961 2.12 981.2785034 2.48 982.0313110 0.92 983.1935425 3.65 984.2446899 1.18 985.3463745 4.47 986.5012817 5.58 987.7118530 10.71 988.8298950 7.61 989.5746460 4.24 991.5833130 9.13 992.7367554 40.19 994.2700195 91.55 995.0983887 100.00 997.3750610 7.55 998.2433472 2.37 999.6723022 3.67 1001.1094360 5.16 1001.9334110 3.42 1003.0341190 1.84 1005.3066410 1.91 1006.3811040 1.16 1007.0405270 0.71 1008.0885620 0.64 1009.9556270 1.17 1011.1938480 4.10 1011.9337770 2.44 1012.8641970 0.88 1014.1439820 4.46 1015.2089840 2.68 1016.4643550 6.60 1017.1838990 5.94 1018.0111690 1.12 1018.9461060 0.86 1020.6948850 1.25 1021.8486330 0.19 1023.8283080 17.77 1024.7525630 5.22 1025.6328120 0.08 1026.4864500 0.86 1027.2800290 0.92 1029.1293950 0.27 1030.4816890 0.44 1032.8507080 0.13 1044.4266360 0.40 1052.5466310 0.79 1054.9189450 0.11 1058.5538330 0.15 1079.8798830 0.43 1083.3144530 0.34 1088.7453610 0.29 1092.8819580 0.45 1094.1264650 0.33 1118.0600590 0.54 1125.6721190 0.35 1128.6359860 0.07 1129.5864260 0.94 1131.5610350 0.35 1149.2912600 0.07 1155.1145020 0.39 1156.6038820 0.26 1161.8066410 0.49 1168.8647460 0.39 1182.5805660 0.48 1186.0286870 0.54 1197.9719240 0.39 1199.9987790 0.51 1201.1999510 0.88 1205.0793460 0.39 1206.3164060 0.09 1207.9533690 0.21 1210.2729490 0.26 1215.1237790 0.32 1219.8765870 0.06 1221.1499020 0.70 1222.9204100 0.64 1232.6903080 0.62 1239.3070070 0.49 1243.4859620 0.91 1247.1646730 0.24 1250.1126710 0.48 1253.0394290 0.36 1258.9810790 0.34 1262.1531980 0.31 1265.1702880 1.20 1265.8247070 0.55 1275.6431880 0.47 1276.2760010 0.31 1284.1165770 0.63 1287.2489010 0.27 1293.5168460 0.12 1303.0377200 0.26 1304.3604740 0.42 1321.4678960 0.13 1323.0438230 0.18 1325.4450680 0.26 1326.5810550 0.42 1334.8392330 0.63 1335.7380370 0.26 1337.3912350 0.14 1350.5992430 0.17 1351.6447750 0.55 1353.1141360 0.81 1363.2911380 0.18 1364.8522950 0.65 1368.1177980 0.37 1372.6761470 0.07 1378.1286620 0.64 1379.4166260 0.89 1384.3557130 0.35 1392.9371340 0.72 1395.4754640 0.22 1402.5706790 0.07 1406.6856690 1.04 1407.6734620 0.70 1412.6766360 0.08 1413.7393800 0.78 1423.1906740 0.98 1425.4635010 0.86 1431.8052980 0.22 1447.6018070 0.13 1460.6335450 0.80 1472.5438230 0.13 1482.3013920 0.36 1513.6942140 0.33 1542.3436280 0.13 1563.5745850 0.27 1573.0811770 1.05 1615.0222170 0.15 1638.6719970 0.24 1641.1302490 0.35 1687.3332520 0.40 1701.0656740 0.07 1715.8104250 0.24 1743.4857180 0.50 1769.5736080 0.05 1869.0372310 0.29 1894.7694090 0.56 1903.6960450 0.44 1948.3636470 0.13 1954.1383060 0.06 1959.8463130 0.46 1976.6358640 0.37 1982.7937010 0.56 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 679.1298 Annotation Unknow Peak:m/z Relative Intensity 193.0961304 15.23 194.1128845 1.11 199.9144135 0.03 201.0641785 0.04 202.2256775 0.08 205.0920715 0.05 215.2854919 0.06 216.2367554 0.03 217.0593567 0.14 218.2662964 0.08 219.3371887 0.02 227.8966827 0.02 231.1802673 0.31 233.0222168 0.27 244.0508118 0.25 245.2120361 0.16 246.0927124 0.06 251.2984772 0.04 255.2329102 0.04 256.0950928 0.15 259.2084351 2.59 260.2815247 0.41 261.2895508 0.02 267.1785278 0.17 274.0329590 0.09 277.2872925 0.02 281.4800720 0.10 283.2919312 0.35 289.1455078 0.16 290.4876404 0.02 297.2869263 0.06 305.3562622 0.10 307.6835938 0.04 309.1049194 0.35 310.2161255 0.02 311.3304138 1.05 312.1846313 2.89 313.1660767 0.87 315.2827759 0.02 325.0648193 0.46 326.0774536 0.21 327.1584167 11.89 328.2206421 1.70 332.6168213 0.03 333.2759399 0.38 336.4158325 0.06 337.2228394 0.23 338.2030640 0.11 338.8391724 0.47 340.1176758 1.89 341.0985718 0.71 342.0807800 0.02 343.0557556 0.03 351.2074585 15.58 352.1242065 1.52 353.2202148 0.60 354.1658936 0.46 355.1724243 0.02 364.0959473 0.05 367.3663940 0.09 369.1396484 2.88 370.2123413 0.27 377.2041016 0.05 378.2866211 0.01 379.4236450 0.03 380.0886841 0.07 381.2200928 0.09 395.1583252 0.94 396.2443237 0.18 397.4270020 0.05 405.1184082 0.03 423.2011108 2.52 424.2135010 0.96 441.1216431 0.03 442.0836182 0.07 451.4579468 0.10 470.3192749 0.09 471.2637939 0.08 480.5194702 0.02 485.1030884 100.00 486.1433105 12.25 486.7576904 0.02 494.1375122 0.08 499.4504395 0.08 502.8076172 0.38 503.5242920 0.04 504.3424683 0.11 506.0173950 0.02 515.3167725 0.13 545.7039185 0.06 587.6063843 0.05 601.8905640 0.04 605.1708374 0.02 618.3930054 0.07 628.8862915 0.07 635.0504761 0.03 661.7741089 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 999.41 Annotation Unknow Peak:m/z Relative Intensity 291.1866150 0.12 309.1347046 0.64 335.2169800 0.27 393.1970215 0.29 439.5143433 1.43 455.6450500 0.09 501.5954590 0.45 601.3146973 0.87 663.5526123 2.92 673.6092529 0.46 717.5071411 0.11 777.2612305 0.42 793.3814697 0.55 821.6412354 0.54 835.4223633 4.24 837.3979492 0.74 839.4462891 42.94 851.7229004 0.08 867.3145752 0.10 879.5159912 8.68 895.2830811 2.33 897.4737549 56.76 923.5112305 0.52 927.5463867 0.38 936.8981934 0.26 937.5197754 0.88 939.2731934 1.14 940.2946777 8.37 955.3719482 100.00 956.0931396 0.36 981.2918701 1.95 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 605.1721 Annotation Unknow Peak:m/z Relative Intensity 175.1298828 0.18 178.0680389 0.47 187.0044098 0.09 188.6846466 0.36 193.1375427 2.46 199.1161499 0.13 217.1267700 0.14 221.0790710 0.08 231.1203003 0.39 243.2978821 0.24 244.1517944 0.24 245.1768799 0.05 247.0747986 0.08 249.0784607 2.68 251.0828400 0.13 253.1868286 0.22 255.3870392 0.05 262.1332703 0.11 263.3964539 0.46 265.2565613 0.16 267.1542358 13.68 271.3156433 0.20 285.3925171 0.04 293.1708374 0.11 307.1170044 0.43 321.2377930 0.26 324.4100342 0.21 329.4357300 0.20 335.4152222 0.18 339.4083862 0.11 347.0690308 0.05 349.3383179 1.18 359.3466797 0.86 360.6544189 1.33 361.5076904 0.20 367.4693604 0.47 381.2172852 1.99 383.3818359 0.08 388.9552002 0.11 407.2653198 0.22 409.3259277 0.64 410.7177124 0.94 411.4443970 3.11 421.5113525 0.12 425.2527466 48.11 429.3096924 0.78 436.2568359 0.15 443.2867432 100.00 447.0780640 0.07 453.3881226 2.33 454.3489990 8.16 455.2949829 1.32 455.9652100 0.27 457.4703979 0.06 458.2318115 0.07 466.8475952 0.51 467.4665527 0.06 471.5675659 0.06 472.5804443 0.42 475.5183716 0.25 478.3268433 0.18 484.5809326 0.31 485.2391357 1.48 498.2453003 0.28 499.1436768 0.07 501.3793335 0.36 507.2083740 0.28 509.2886353 0.20 511.4418335 0.05 515.1858521 0.07 516.4891968 0.22 517.2163086 0.06 542.3506470 0.24 557.4387207 0.07 559.1411743 0.68 560.1343384 0.39 567.5025635 0.32 569.2965698 0.39 574.9916382 0.45 585.4230347 0.07 586.4912720 1.20 587.2636108 2.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1117.5092 Annotation Achyranthoside D Peak:m/z Relative Intensity 373.1971436 1.06 407.4131470 1.02 423.6213379 3.90 424.3317261 0.91 435.4483032 1.47 436.6296082 2.13 437.5018005 1.30 438.6040955 0.34 453.5815125 2.44 454.2557373 0.30 455.3623657 0.11 463.1939087 0.20 481.4201050 10.99 482.4450073 4.64 499.4220886 77.13 500.4928894 22.12 517.4012451 0.41 518.0897827 0.18 600.5666504 1.40 609.6435547 0.51 663.6437988 0.24 675.5870972 5.73 693.4317627 13.59 694.6386108 5.68 771.8580322 0.66 924.4473877 0.36 941.5452881 100.00 942.5726318 41.31 943.2014160 0.33 955.6290283 0.43 986.9777832 0.18 987.8083496 0.26 1006.7297360 0.53 1074.4234620 0.11 1099.5603030 1.41 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 649.1002 Annotation Oxidized glutathione Peak:m/z Relative Intensity 182.9773560 0.74 188.8686829 0.30 193.1043549 0.08 196.9549255 0.28 204.9579773 0.26 206.9951172 0.23 209.1668396 1.36 212.9731903 0.07 215.1191406 0.24 217.4088135 0.35 219.2130585 0.56 223.0547485 1.39 225.0097504 0.36 226.0779266 0.18 234.1617737 0.27 235.0719147 2.13 237.1382141 1.11 247.0124207 0.26 248.0114136 0.43 249.3989258 0.09 252.0291901 8.28 254.1291656 0.83 257.0366516 0.11 264.1144104 0.80 266.0710144 1.96 268.9796143 2.42 272.0220337 2.85 286.3374634 0.12 287.0578003 0.37 288.1252136 0.15 292.2230225 3.93 301.0791016 1.58 304.1895447 1.29 306.1643066 6.61 310.1884460 23.14 311.2206116 0.57 319.0565796 0.30 323.9838867 0.40 326.0299683 1.12 337.0236206 0.11 338.1323853 5.61 342.1276245 100.00 344.1994629 72.73 357.9223633 0.12 366.8424072 0.18 368.4177246 0.26 376.0371094 46.60 390.9692383 0.28 399.1231079 0.72 401.4542236 0.11 432.5712280 0.33 472.2531128 0.05 502.1608276 0.91 516.0739746 0.23 520.1569214 51.38 535.8864746 0.07 550.9699097 0.11 559.2523804 0.23 565.1876831 0.14 574.2744141 0.33 578.7835083 0.09 586.9959106 0.21 588.0474243 0.23 603.1734009 0.31 613.2926636 2.97 615.2285156 0.37 631.2342529 50.64 632.3281250 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 860.3516 Annotation Unknow Peak:m/z Relative Intensity 262.0206299 0.08 295.3790283 0.03 302.7229004 0.14 314.8375244 0.10 329.2985229 0.04 366.2862549 0.04 374.2363281 0.11 382.3818665 0.14 383.3978882 0.10 391.9719238 0.17 400.5292358 0.07 401.2634888 0.09 408.0859375 0.07 423.3880615 0.08 430.2617188 0.25 442.5000610 0.09 444.2808228 0.22 450.9673462 0.05 479.8728638 0.18 480.9165649 0.05 536.8484497 0.06 539.1591797 0.11 540.5341187 0.14 575.3140869 0.09 617.3389282 0.36 624.4777222 0.13 626.0522461 0.19 652.2078857 0.14 676.6798706 0.11 682.6473389 0.34 685.2315063 0.08 699.2066040 0.12 704.2949829 0.22 726.5032349 0.16 752.4703369 0.10 768.2693481 2.46 773.1105347 0.12 774.5641479 0.32 775.3293457 0.10 779.8440552 0.70 780.7420044 0.78 781.5142822 0.47 788.4581909 0.09 793.3671875 0.05 796.0360718 3.19 796.9954224 1.61 797.8649292 1.46 798.6441650 0.28 799.4444580 0.16 800.9801636 1.54 801.9495239 0.70 803.2854004 0.13 804.4784546 2.23 805.1723022 0.53 806.6350708 0.15 808.0198364 2.60 809.1489258 0.18 812.1056519 0.07 814.3775024 0.62 815.7084351 0.45 817.7258301 0.14 819.2786865 0.48 820.8900146 0.12 821.5905151 0.35 824.5297852 3.77 825.2847900 1.29 826.0541382 22.59 827.6251831 0.54 828.5155640 1.07 829.4196777 0.06 830.1065063 0.36 830.7396851 0.12 832.6152344 15.19 833.4709473 4.88 834.4187622 0.29 835.4169312 0.61 836.3029785 1.76 836.9165649 0.77 838.2078857 2.08 839.1895142 0.17 841.1372070 0.95 842.3637085 0.48 843.0550537 0.32 843.7632446 0.11 845.0283813 2.53 845.7239990 2.38 846.6058350 0.05 848.1668091 0.03 849.7292480 4.21 850.6779175 0.04 852.1795044 0.61 855.7279053 0.10 872.9598999 0.04 886.6505737 0.20 890.1791992 0.29 893.3098755 0.37 903.6621704 0.10 918.3051758 0.25 921.2668457 0.28 930.5036621 0.49 931.5129395 0.77 933.7145386 0.14 953.2700195 0.45 957.7055664 0.22 958.6373901 0.03 967.9887085 0.40 969.2258911 0.32 973.9780884 0.54 974.6895142 0.04 979.7318726 0.05 982.0883789 0.26 983.2404785 0.28 985.2908325 0.14 986.4684448 0.04 987.1465454 0.11 990.2477417 1.31 991.2916870 0.87 999.7878418 0.19 1002.9443360 0.16 1005.2655640 0.17 1005.8978880 0.51 1007.6369020 0.30 1009.7169800 0.35 1012.0310670 0.38 1013.3093870 0.38 1014.8303830 1.70 1015.5176390 0.74 1017.0567020 0.20 1020.6525270 0.31 1023.0081180 3.78 1023.6157840 2.74 1024.3159180 1.39 1026.8072510 0.29 1029.6690670 0.32 1030.3183590 0.30 1033.1228030 0.64 1035.5200200 0.05 1039.5187990 2.83 1040.2722170 1.59 1041.6915280 0.09 1042.8474120 0.20 1044.3715820 0.17 1053.9630130 0.89 1055.4619140 0.87 1061.1530760 16.50 1062.1833500 2.66 1063.1593020 0.65 1066.5476070 0.97 1067.4752200 2.68 1068.3679200 0.26 1069.4061280 0.42 1070.3331300 0.09 1071.7286380 3.20 1072.4543460 12.38 1073.1790770 6.17 1073.9429930 0.65 1076.3916020 1.48 1077.1188960 11.80 1078.0856930 0.93 1084.1582030 0.18 1087.7763670 0.37 1089.0393070 0.65 1091.9508060 0.35 1092.8935550 1.59 1094.5620120 0.42 1096.1708980 0.35 1098.7299800 13.64 1099.5421140 11.73 1100.4428710 1.44 1101.2504880 0.59 1102.9997560 0.26 1104.2286380 3.74 1105.0943600 2.87 1105.9241940 0.02 1106.6071780 0.08 1107.6898190 0.23 1109.3984380 9.17 1110.1757810 100.00 1111.0737300 18.55 1111.9949950 0.20 1112.8366700 0.38 1113.5759280 0.13 1114.6960450 23.63 1115.4752200 11.20 1116.1694340 1.42 1117.0451660 0.49 1117.9667970 0.11 1119.4709470 0.16 1121.7836910 0.18 1123.1506350 0.85 1123.8161620 0.50 1127.0380860 0.12 1137.1267090 0.21 1154.5532230 0.10 1156.0194090 0.15 1158.4300540 0.29 1163.1674800 0.41 1169.4157710 0.20 1170.2875980 0.16 1170.8952640 0.18 1172.0651860 0.71 1185.6394040 0.11 1197.6644290 0.04 1212.0596920 0.45 1219.5085450 0.41 1221.5480960 0.82 1222.5367430 0.26 1228.5430910 0.46 1229.3553470 0.12 1231.4890140 0.26 1235.4058840 0.07 1238.8613280 0.24 1261.4259030 0.10 1262.1180420 0.20 1264.4420170 0.41 1265.8011470 0.08 1267.7126460 0.09 1269.1896970 0.13 1270.0839840 0.29 1271.1408690 0.16 1278.2580570 1.21 1279.8582760 0.22 1289.7886960 0.46 1319.1876220 0.22 1322.9069820 0.03 1327.7847900 0.27 1329.4826660 0.27 1330.2186280 0.11 1338.5903320 0.43 1345.3828120 0.13 1361.2967530 0.13 1377.9951170 0.29 1386.8226320 0.18 1394.4114990 0.35 1404.7679440 0.03 1407.5582280 0.06 1412.6981200 0.27 1415.0269780 0.22 1419.2388920 0.26 1435.5426030 0.06 1438.3944090 0.15 1441.6878660 0.13 1450.2762450 0.30 1472.2305910 0.27 1474.4152830 0.06 1479.7642820 0.10 1480.3760990 0.27 1486.0063480 0.11 1508.1998290 0.44 1516.3743900 0.24 1526.1115720 0.08 1534.5635990 0.21 1556.7010500 0.16 1563.2512210 0.12 1567.5438230 0.08 1591.8697510 0.40 1606.9395750 0.22 1662.7249760 0.09 1782.7537840 0.03 1802.3044430 0.18 1836.6351320 0.02 1847.7585450 0.16 1854.9913330 0.15 1882.5910640 0.02 1883.7575680 0.09 1896.3111570 0.04 1902.8883060 0.03 1934.6291500 0.17 1940.8033450 0.04 1985.7838130 0.23 1994.0321040 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 925.4829 Annotation Atracurium Peak:m/z Relative Intensity 289.0844116 0.05 307.0984802 0.11 407.6617737 0.03 437.3881226 0.29 453.6145020 0.45 455.5351562 3.50 456.5649414 0.62 469.4017944 0.09 470.6503906 0.15 472.2655029 0.15 483.4624634 5.87 484.4812622 1.81 497.3466187 0.09 501.6165771 0.20 511.3864136 0.19 512.5045166 0.16 523.5530396 2.82 524.6088867 0.91 528.3689575 0.04 535.5991211 0.22 537.5044556 1.50 538.6157227 0.80 549.6089478 1.44 550.4869385 0.86 551.5346069 2.88 552.4859009 1.24 554.2312012 0.20 555.4843140 0.07 569.5165405 6.54 570.4971313 2.49 571.3814697 2.05 572.5576782 0.64 577.3910522 0.07 583.5733032 0.19 584.6407471 0.06 587.3936157 0.46 588.6499634 0.07 593.5765381 0.07 595.4588623 4.32 596.5239868 0.73 597.6105347 0.08 606.5704346 0.09 609.3581543 0.05 613.5676880 2.50 614.5187988 1.90 615.7868652 0.14 627.7213135 0.05 631.6265869 1.45 632.6613159 0.76 648.7322388 0.08 655.6972656 0.07 673.5559082 0.14 674.4224243 0.06 687.6129761 0.04 688.4157715 0.03 701.6235962 5.93 702.5890503 2.97 713.5018921 0.07 715.6873779 0.03 719.8027954 0.25 720.5980835 0.24 733.4343872 0.09 734.8430786 0.13 745.3937378 0.73 746.6047974 0.71 757.6683960 0.86 758.3446045 0.04 763.5057983 100.00 764.5938721 40.94 765.5408325 0.59 776.5219116 0.10 791.6682129 0.11 793.5110474 4.64 794.6293945 1.82 795.5244751 0.39 805.5963745 3.74 806.5911255 2.98 809.8311768 0.14 836.5726318 0.09 838.3092041 0.05 848.6331177 0.15 849.7241821 0.03 865.7730103 0.18 866.7536011 0.20 908.4630737 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 949.2473 Annotation Unknow Peak:m/z Relative Intensity 270.0719604 1.53 271.1405029 2.73 272.1396179 0.71 281.0917664 0.27 285.3020630 0.76 286.1179504 1.35 287.0449219 7.15 288.0338135 3.80 295.1441650 0.29 297.2007751 1.68 297.9926147 0.62 299.2606812 0.50 301.1805420 3.05 303.1674805 8.58 309.1453552 1.41 310.5646973 0.49 311.2343140 3.48 312.2114868 1.06 313.1383362 3.26 314.0362244 0.34 315.1691895 21.30 316.0772705 38.46 317.0559692 3.63 319.4887695 0.51 322.1473694 0.24 323.2222290 0.18 325.0559387 1.86 327.1928711 1.93 328.9431458 5.31 330.0823059 54.57 331.0888062 85.38 332.3111877 0.22 335.2567749 0.96 337.1555176 0.82 338.1119385 0.78 339.0198364 0.20 340.1949768 1.67 341.2395630 2.16 343.2538757 0.22 344.4205017 0.28 345.0913391 1.12 351.0348511 0.58 352.2172546 1.11 353.0874023 0.88 354.1410522 0.27 355.1792297 8.93 357.3315125 2.11 358.2176514 3.15 359.1998901 1.65 363.9891968 0.24 366.2822876 0.41 369.1294556 1.07 369.9822083 3.97 370.6707458 1.20 372.0700684 1.99 373.1176147 52.42 373.7667236 0.56 374.4219971 0.66 377.2648926 0.65 378.3055420 1.03 379.1008911 0.47 382.3826294 1.24 383.2336426 1.58 385.1004028 3.40 387.3010864 0.74 387.9151001 0.64 393.2904358 0.48 395.3008423 1.10 396.2933960 0.63 397.3056030 2.09 399.1213074 0.68 400.2410889 0.28 401.1959229 0.46 403.1915894 9.88 409.4246826 1.54 410.8715820 0.84 413.2005005 0.22 415.0617676 3.53 420.7305298 0.44 423.0695801 0.59 424.0300293 0.59 427.3666992 1.08 439.1193848 3.57 440.9106445 0.61 444.0665283 0.75 455.7724609 0.58 457.1081543 2.15 459.1431885 1.30 460.2904053 2.22 460.9067383 0.39 465.2958374 0.32 473.2319946 0.71 474.6159058 1.33 477.8244019 0.79 478.6782837 1.42 480.9658813 0.92 482.2404785 0.19 487.3615112 0.63 492.3004150 0.65 493.2164307 2.66 503.4194946 0.45 504.9631958 0.73 505.7909546 0.29 507.3690186 0.22 508.5203857 0.25 513.1359863 0.47 517.0285645 1.27 523.4600830 0.44 528.3777466 0.62 535.3793945 0.56 544.7780762 1.28 559.0742188 0.57 561.2512817 4.76 565.5185547 1.06 574.9265137 0.32 577.4922485 0.42 578.2604980 0.77 589.5435181 0.38 591.5897217 0.48 593.2973022 4.10 606.3189697 0.44 607.1127319 0.94 609.0166626 1.54 609.9946899 0.29 619.2979126 2.60 621.1520386 0.97 622.3574829 3.15 623.3724976 0.31 624.3732300 0.85 625.3070068 0.59 634.4515991 1.75 635.1734619 0.43 637.2848511 58.89 639.1691284 0.78 640.2266235 2.90 641.4247437 2.69 646.2954102 1.01 652.1954956 1.69 655.2964478 100.00 656.5724487 1.94 663.4432373 0.81 667.3217163 77.02 668.1523438 0.67 689.4138794 0.71 697.2704468 5.38 709.4983521 0.40 730.6213989 0.59 731.9364624 0.27 750.9562988 0.31 753.8414307 0.39 755.3637085 0.99 767.0252686 2.07 767.9888306 1.87 769.2462769 30.57 770.4791870 0.80 771.4571533 0.30 772.4351196 0.21 773.2815552 5.59 784.2151489 0.41 785.3477783 3.89 786.1152954 0.63 787.2742310 43.00 788.5559692 0.40 794.3186035 0.76 799.3304443 2.12 813.1912842 1.30 821.2191772 0.47 824.9955444 0.68 827.4965210 0.76 829.3928833 0.47 871.9014893 0.70 873.3675537 0.15 874.4044800 0.47 877.2323608 0.76 890.1113281 2.40 894.2789917 0.99 899.8648071 0.68 900.5754395 0.76 903.1696777 0.76 904.2703857 0.18 905.3561401 4.26 916.4901123 1.69 917.4428101 0.68 921.6153564 1.15 931.0036011 4.22 931.7853394 2.22 932.5784912 0.88 934.1979980 29.51 935.1755981 0.45 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 299.0771 Annotation Pseudolaroside A Peak:m/z Relative Intensity 92.9936447 1.38 137.0009308 100.00 144.7822876 0.10 152.9511566 0.16 161.0008545 0.27 167.1603241 0.07 176.9782562 0.03 253.4012451 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 771.1981 Annotation Kaempferol 3-glucosyl-(1->2)-gentiobioside Peak:m/z Relative Intensity 215.1556396 0.46 216.1181946 0.47 223.4009552 0.09 226.1988220 0.55 227.1013794 0.63 228.4629211 0.37 231.0400391 0.29 232.9725189 0.13 235.1547241 0.08 237.9219360 0.06 239.0976410 0.42 243.0541077 3.90 243.9640808 0.52 245.2286987 0.12 251.1919861 0.14 254.0973816 1.07 255.1037598 2.54 256.1380920 0.90 263.3138428 0.30 266.1270752 0.35 267.0433655 0.56 268.3221741 0.57 269.2186890 0.09 270.0204163 0.50 271.0761414 17.03 272.1300659 7.43 273.1604004 1.63 274.1683960 0.35 279.2634888 0.22 279.9426880 0.60 281.0305481 0.55 282.2233887 0.10 284.0394287 1.08 285.0037842 0.51 287.1748657 11.82 288.0285034 1.71 291.4071960 0.21 295.1539001 0.23 296.1040649 0.59 297.2426758 1.01 298.9959106 22.63 300.1169434 14.17 301.0274658 3.02 303.3219604 0.10 307.8721008 0.08 309.2906189 0.32 310.3000183 0.61 311.2364502 0.61 312.3063660 0.58 314.0599976 54.15 315.1165771 81.15 316.1967773 11.88 317.3320312 0.37 320.5764465 0.13 322.4874878 0.16 324.0970764 3.13 325.2028809 0.73 326.1153870 0.32 327.0308533 0.89 329.0180664 2.80 330.1530762 0.09 335.3366089 0.07 337.2240601 0.76 339.1285095 5.43 340.1883240 0.22 341.1487122 3.06 342.2069702 0.94 343.2246094 0.48 345.2282715 0.32 345.9575195 0.13 347.1884155 1.15 351.2576294 1.68 352.3828430 0.14 353.2439575 0.35 354.2336426 0.09 355.3189087 0.78 357.0874023 36.81 358.1401062 8.46 359.1210327 0.11 363.6012268 0.30 366.3464355 0.47 367.1328735 1.12 368.3250122 0.40 369.2243347 3.67 370.3444214 0.72 372.3695068 0.25 380.0390015 0.33 381.3173218 3.29 382.2814941 0.84 385.2315674 0.44 387.2379150 4.34 388.2335815 0.63 390.1062012 0.40 397.9993896 0.48 399.2524414 2.87 405.2324219 0.68 406.3696899 0.36 407.4495850 0.13 408.2310791 2.14 409.1378174 0.29 413.5667725 0.16 417.2442017 0.10 418.2105713 0.56 423.2626343 7.27 424.2837524 1.69 427.1709595 0.38 428.2944946 0.67 429.0720215 1.28 430.3756104 0.36 435.1172485 0.40 440.5294189 0.71 441.2183838 1.11 445.0969849 0.95 446.3288574 0.72 447.2206421 0.39 451.3879395 0.45 452.1689453 0.56 453.4970093 0.29 455.2335205 0.62 456.1489258 0.17 459.3588867 3.08 461.2058105 4.22 462.1542969 1.19 464.2168579 0.19 470.4553833 0.29 474.1989746 0.21 475.1266479 0.09 477.6015015 1.63 484.3770752 0.20 487.2647095 0.58 489.2263184 10.93 490.4063110 1.29 499.2554932 0.11 501.0502319 0.12 527.8717651 0.20 532.1461792 0.12 536.3434448 0.19 545.3069458 0.07 561.1392822 0.21 575.3644409 0.13 577.2280884 0.34 578.4783325 1.27 579.1921387 0.88 585.2118530 0.51 590.2265625 0.34 591.3197632 1.34 593.4691162 0.68 594.4511108 0.72 596.4610596 0.17 603.2232056 0.36 604.3151245 0.24 606.2858276 2.59 607.4225464 0.64 609.3712158 11.39 610.2467651 0.63 621.2512207 100.00 622.2653809 29.30 624.1000366 0.81 625.3095093 1.42 626.5211182 0.37 639.2492065 75.74 640.2657471 18.07 641.6373901 0.79 651.5557251 0.25 652.3810425 0.12 654.2526855 0.31 676.9698486 0.26 678.5066528 0.35 681.3869019 0.49 682.0439453 0.16 711.1279297 0.10 712.3473511 1.33 724.9661865 0.35 728.0391235 0.20 735.4561768 0.29 739.2999878 2.26 740.2371216 0.16 743.1254272 0.19 753.4397583 0.27 754.7667847 0.24 756.2713013 12.60 757.4006348 6.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 697.1378 Annotation Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside) Peak:m/z Relative Intensity 195.2000427 0.06 198.0864105 0.02 198.9491577 0.11 199.9661865 0.02 201.1301880 0.02 203.1228943 0.09 204.1481628 0.12 205.0538330 0.42 206.9652557 0.19 211.0624237 0.08 212.2789917 0.02 213.2129974 0.10 214.1305542 0.07 215.0625763 0.07 217.0385132 0.14 218.0545807 0.05 219.1790466 0.12 222.0838776 0.01 223.0949402 0.05 226.9083862 0.15 227.9846191 0.17 229.1192627 0.08 230.1861420 0.03 231.0219421 0.17 232.2100830 0.43 233.1610107 0.20 235.2459106 0.04 239.0466919 0.44 240.8993073 0.08 242.0069733 0.09 243.1813202 0.64 244.1017303 0.02 245.1322937 0.30 246.0593567 0.02 255.0220490 0.40 256.0063782 0.51 260.0679932 7.06 261.0849609 0.69 267.0811768 0.22 271.0243835 1.19 273.0759583 0.92 274.0675964 0.05 280.9562073 0.08 284.1417236 0.25 284.9094238 0.06 289.0932007 0.45 291.2014771 0.69 299.0657959 2.61 300.2479248 0.07 301.0129089 0.14 302.0105896 0.28 307.1396484 0.14 315.0711060 0.08 317.0759277 1.00 330.1485596 12.65 335.0522156 2.43 345.1262817 100.00 345.7633057 0.31 353.1264648 18.91 492.3326416 0.05 596.3630371 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 994.1842 Annotation Unknow Peak:m/z Relative Intensity 293.2311096 0.13 312.2837524 0.43 313.0139771 0.61 320.4485168 0.43 324.3240967 0.75 341.5513000 0.35 346.1236267 0.74 347.0591736 0.09 349.0631714 0.18 350.2355347 0.13 355.3521729 0.49 371.4455566 0.29 381.2868652 0.76 383.5083313 0.29 412.1521606 0.62 414.5238647 0.61 419.3205566 0.76 434.5754089 0.13 438.3339233 0.30 446.3151855 0.81 469.3676758 0.15 474.2339172 0.46 480.4320068 0.43 484.9219055 0.39 485.9328613 0.24 503.1752625 0.54 509.2432556 0.42 510.6889038 0.18 511.9393005 0.21 516.2197266 0.55 521.5468140 0.17 525.2547607 1.15 529.3988037 0.31 531.4726562 0.92 537.4193115 3.20 543.1519775 0.75 557.0391846 0.84 558.2847900 0.10 576.3984375 0.17 577.3576660 0.49 579.6260986 0.89 586.9895630 0.18 593.6718750 0.86 598.3303223 0.75 612.2766113 0.65 621.5512695 0.18 625.3764648 0.72 643.4544678 0.35 667.4862061 0.17 678.5888062 0.24 703.1163330 0.36 706.2967529 0.72 711.0967407 1.34 712.5193481 0.47 713.5594482 0.30 725.6472168 1.50 740.5794678 0.40 741.3768921 0.55 742.5128174 0.47 749.7391968 0.47 757.5725708 0.53 758.1939697 0.61 758.8922729 0.34 760.0466309 0.34 762.6608887 1.15 765.8902588 0.32 795.9165039 1.12 811.8594971 0.35 812.6942139 0.40 817.9338379 1.25 821.5109863 0.26 838.8200684 0.34 839.6469727 3.08 840.3739014 3.10 841.0349121 0.76 841.8883057 0.50 845.3126221 1.21 846.5334473 0.22 854.4038086 0.23 855.4114990 0.66 858.6541748 0.84 864.8834229 0.30 865.5776367 2.01 866.5683594 0.28 870.6296387 0.30 873.2143555 3.88 874.2479248 1.18 877.0035400 1.68 878.0711670 1.55 880.2301025 0.72 881.7479248 3.38 883.8096924 0.37 885.1861572 0.58 886.3194580 1.31 887.3724365 1.28 893.4741211 0.20 895.9914551 0.25 898.3428955 1.94 899.0294189 0.93 900.5430908 0.49 901.6109619 1.63 904.5469971 1.66 905.4294434 0.41 906.6801758 0.88 908.0997314 6.30 908.9890137 0.29 909.6695557 0.24 910.9197998 1.09 911.6169434 0.87 912.4921875 5.03 913.3535156 3.12 914.0924072 3.61 915.3076172 2.24 915.9965820 1.99 920.2319336 4.34 921.8920898 6.16 923.3054199 0.69 924.9134521 5.64 926.3387451 10.97 927.3870850 1.53 929.1571045 4.99 930.0482178 10.70 931.2774658 2.08 932.7918701 9.31 933.7106934 8.76 934.6026611 2.91 935.9995117 6.13 937.3055420 23.82 938.1597900 2.03 938.9245605 1.76 939.8247070 9.39 940.9331055 8.42 941.5933838 2.36 942.7196045 8.25 943.6469727 8.64 944.3132324 4.44 945.6256104 1.44 946.5185547 7.28 947.1818848 0.50 948.9931641 1.54 949.9355469 3.88 950.9050293 7.15 952.4609375 3.29 953.4549561 8.74 954.2452393 9.25 955.3659668 3.86 956.5781250 1.52 957.2252197 1.52 958.1630859 19.85 959.0068359 5.97 959.9418945 3.44 960.9342041 3.17 962.0793457 24.51 963.0390625 22.72 963.9356689 4.87 965.0791016 8.30 966.5363770 24.09 967.4140625 8.14 968.2805176 2.60 968.9289551 0.21 970.0285645 16.23 970.8554688 12.98 971.7749023 2.86 972.9060059 6.31 974.3286133 5.20 975.2001953 5.04 976.0668945 0.88 976.8928223 16.42 977.8089600 9.51 979.0914307 30.01 980.0014648 3.30 981.3981934 52.92 982.0787354 15.14 983.4122314 38.21 984.4632568 8.88 985.5299072 5.07 995.0709229 0.11 1008.5911870 0.41 1010.8894040 0.14 1011.7504880 0.25 1017.5136720 0.93 1019.5731200 0.15 1025.5614010 0.51 1026.5395510 2.32 1027.7309570 0.70 1028.7095950 0.89 1030.1187740 1.44 1032.7257080 1.69 1033.9160160 0.77 1035.9114990 2.18 1037.5139160 3.26 1040.3348390 1.07 1044.8128660 1.53 1045.5439450 1.13 1046.3728030 0.68 1047.0944820 1.22 1047.7724610 2.32 1054.2116700 0.75 1058.0974120 1.29 1059.4804690 1.28 1062.0229490 1.63 1063.2906490 1.01 1071.2270510 2.18 1072.1602780 0.47 1074.6005860 1.00 1078.3002930 1.57 1079.2644040 1.09 1081.5258790 0.39 1085.1762700 1.43 1086.8969730 1.25 1087.8087160 3.76 1088.4858400 2.05 1089.6009520 0.09 1090.2722170 0.49 1090.9245610 1.74 1096.1655270 0.71 1097.5146480 1.68 1099.5124510 2.01 1102.4072270 2.00 1103.0410160 0.20 1105.0560300 3.57 1106.2312010 1.27 1106.9769290 1.09 1110.8815920 3.25 1115.1816410 3.57 1116.2126460 5.55 1117.2097170 1.19 1118.9819340 0.68 1119.9667970 2.47 1121.6005860 1.42 1122.5507810 0.80 1126.9045410 0.19 1127.8901370 0.66 1129.0739750 2.46 1130.1846920 2.53 1131.6862790 2.86 1132.4272460 1.12 1133.4967040 1.52 1135.1215820 7.49 1136.4113770 1.49 1137.6513670 0.51 1139.3239750 4.97 1140.3934330 4.20 1143.7064210 0.57 1144.5402830 4.13 1145.3623050 0.75 1145.9746090 6.32 1147.7861330 1.89 1148.4049070 0.60 1150.2852780 2.05 1151.2539060 0.38 1152.7458500 1.31 1155.1381840 2.19 1156.6080320 5.07 1158.5517580 0.42 1159.1868900 0.80 1160.5168460 0.65 1161.6282960 0.17 1162.2573240 3.60 1163.0749510 1.27 1164.3663330 0.44 1165.5087890 1.06 1166.2509770 1.09 1167.7082520 8.30 1168.4942630 1.94 1169.3470460 1.06 1170.2675780 0.68 1170.9890140 1.87 1172.0325930 1.12 1172.7351070 2.06 1173.7052000 2.71 1174.9282230 0.41 1175.7772220 4.59 1176.4272460 0.22 1178.0871580 1.92 1180.1728520 1.08 1181.4188230 3.68 1183.3000490 3.12 1187.4841310 1.96 1188.8031010 2.63 1190.2526860 0.67 1191.6048580 3.95 1192.3005370 1.55 1193.4345700 2.16 1194.5122070 2.32 1196.5021970 6.58 1197.1638180 1.23 1198.3431400 5.43 1199.0831300 4.10 1199.9508060 5.51 1200.8657230 2.13 1202.1298830 2.05 1203.7382810 3.93 1205.4458010 6.71 1206.0795900 6.40 1206.7846680 1.48 1207.7324220 4.61 1208.5709230 4.17 1210.1818850 12.27 1211.3028560 17.43 1212.4069820 4.59 1213.1091310 0.75 1214.3510740 2.38 1215.1098630 1.26 1216.3028560 3.29 1217.2563480 1.09 1218.2308350 3.91 1219.2272950 5.18 1220.2137450 1.29 1220.9482420 1.51 1222.0971680 2.13 1222.7625730 2.24 1223.6574710 6.22 1224.5964360 1.48 1225.6324460 0.99 1226.5460210 2.31 1227.3570560 2.84 1228.6458740 17.36 1229.6247560 2.64 1230.5173340 2.38 1231.6806640 5.86 1232.9090580 7.28 1234.1887210 1.43 1234.7958980 0.82 1235.9036870 5.24 1236.8549800 0.80 1237.8439940 10.32 1238.8675540 9.89 1239.8591310 2.59 1240.7716060 0.70 1241.5448000 1.49 1242.4040530 2.61 1243.3398440 13.04 1244.2495120 18.32 1245.2125240 4.28 1246.9802250 3.64 1247.8376460 5.87 1249.1838380 100.00 1249.9971920 28.23 1250.7972410 3.54 1251.5258790 0.68 1252.6444090 4.49 1255.1865230 9.69 1256.3913570 3.88 1257.7636720 4.38 1258.4865720 3.01 1259.2092290 11.56 1260.1391600 2.50 1261.2742920 2.38 1261.8771970 0.81 1263.0423580 4.52 1264.8063960 5.58 1265.8273930 1.41 1267.5937500 3.29 1268.9609380 10.73 1269.8422850 2.75 1270.9273680 4.18 1271.6970210 8.12 1272.3823240 2.25 1274.1164550 10.28 1275.1657710 9.47 1277.1068120 38.27 1277.9257810 24.87 1278.8859860 3.99 1280.0976560 3.46 1280.9636230 0.51 1281.8613280 5.82 1283.1409910 13.50 1283.8918460 1.20 1286.0397950 6.09 1286.7618410 5.65 1287.7093510 15.76 1288.4334720 11.54 1289.2713620 3.72 1290.0914310 0.87 1292.2210690 6.99 1293.5144040 11.44 1294.3457030 4.19 1296.7928470 4.61 1297.7313230 1.54 1301.7542720 1.96 1303.5274660 2.33 1311.3983150 0.92 1314.1628420 0.33 1316.0090330 1.00 1319.7049560 1.04 1337.6223140 0.70 1341.9901120 0.83 1344.6717530 0.61 1346.0653080 0.87 1364.5875240 0.46 1380.0311280 0.94 1384.9129640 0.38 1387.1124270 0.50 1391.6094970 0.62 1394.8244630 0.73 1395.7108150 0.81 1399.5020750 0.30 1405.8311770 1.04 1406.7307130 1.05 1416.7449950 0.36 1420.0657960 0.91 1422.9857180 0.27 1427.0637210 0.35 1432.8878170 0.44 1435.0653080 1.46 1435.8514400 0.35 1436.5791020 1.48 1439.0296630 3.59 1440.7709960 1.46 1442.0692140 0.10 1443.6649170 2.31 1444.6037600 1.78 1446.7978520 0.77 1450.2116700 0.32 1451.1875000 3.02 1451.9844970 6.52 1452.9173580 3.00 1456.3978270 0.65 1458.1088870 0.76 1461.5389400 0.57 1475.8513180 0.66 1476.9151610 1.93 1485.5609130 1.66 1486.3571780 0.84 1487.2282710 0.31 1496.1589360 0.68 1498.1138920 0.82 1499.6354980 0.99 1501.3861080 0.32 1516.7536620 0.55 1525.8787840 0.15 1535.2686770 0.75 1538.8599850 1.80 1544.9885250 1.19 1558.1810300 0.45 1571.1387940 1.53 1573.7624510 0.64 1582.0535890 1.09 1590.6971440 0.69 1596.9886470 1.76 1600.8936770 0.94 1608.9648440 0.26 1610.7675780 1.35 1611.9151610 1.08 1615.8754880 0.87 1620.4543460 0.20 1622.2191160 0.23 1625.4561770 1.50 1634.2180180 0.95 1634.8361820 1.07 1636.8197020 0.31 1639.7249760 0.37 1652.8446040 0.39 1655.0070800 0.71 1661.6795650 1.24 1670.6400150 0.55 1678.1627200 0.53 1686.7430420 1.02 1690.1011960 1.17 1701.3708500 0.31 1712.2023930 0.44 1719.2283940 1.20 1726.9641110 0.52 1727.6463620 0.62 1738.1643070 0.23 1740.9793700 1.46 1747.5626220 1.31 1750.3624270 1.03 1752.2459720 0.50 1760.9582520 0.39 1768.0743410 0.41 1799.2747800 1.11 1818.2027590 1.82 1845.8260500 1.28 1858.4949950 0.29 1866.8416750 0.85 1876.5728760 0.10 1900.9772950 0.89 1936.3820800 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 599.4083 Annotation Isomytiloxanthin Peak:m/z Relative Intensity 167.1716461 0.80 168.9495239 3.12 170.1251831 0.27 171.0158386 2.63 173.1321869 0.81 175.2816315 0.12 177.0209961 0.33 178.0906982 0.81 179.1006927 3.01 180.0527191 1.98 181.2175598 6.95 182.1407776 2.46 183.1160889 3.93 185.1767426 2.91 187.0723419 0.39 189.2371216 2.80 191.0573730 5.68 192.1190491 1.35 193.0834045 4.13 194.0740662 1.32 195.1499023 9.17 197.1710052 8.47 199.1424103 1.26 201.0944519 1.26 202.3731232 0.49 203.0717468 10.21 205.1403046 4.67 206.0438995 1.45 207.1739502 8.03 209.1610870 15.50 211.0296936 8.98 211.6984406 0.32 212.9842224 1.29 215.0475159 0.74 217.2726135 2.45 218.0769501 1.64 219.1573792 2.52 221.1544800 100.00 223.1825867 17.46 224.1398468 0.28 225.2647705 0.65 226.0897217 0.13 227.0307007 1.40 229.1589508 2.42 231.2394714 1.99 232.2248688 0.64 233.3056488 3.99 234.2345581 0.25 235.2272644 6.81 236.4367065 0.80 237.3061218 2.23 239.1179047 1.30 241.2419891 0.33 245.3144989 3.07 246.2284546 0.27 247.2411804 11.45 249.2485809 10.90 250.0428314 0.28 251.2544098 14.47 253.2033081 0.30 255.1500244 0.50 257.3020630 1.82 258.3560181 0.24 259.1558838 4.54 260.2499084 0.60 261.2505798 6.99 262.1799927 0.78 263.1826477 5.70 265.3486633 5.38 267.1011353 3.72 269.2263184 0.25 271.0769348 3.41 273.1863708 6.30 274.6089478 2.12 275.2933655 10.61 277.2702942 7.00 279.3372498 3.64 281.2432556 2.76 283.2925415 1.81 284.8730469 2.66 285.5499268 4.43 287.1154175 11.17 287.7755127 0.33 289.2856445 5.74 291.2760315 5.30 293.2744751 1.11 295.1743469 0.64 297.3283691 2.95 299.3176270 25.53 300.4812012 1.51 301.2789917 4.43 303.2504272 3.56 305.2556763 3.87 307.3046875 3.73 309.2645264 0.96 311.3035278 12.98 312.2871094 1.84 313.2110596 8.39 315.2730103 2.27 317.1543579 1.91 319.3184814 5.98 321.2191772 0.50 323.2205811 4.74 324.5166016 1.51 325.2672729 2.82 327.3728638 4.84 329.3580322 3.22 331.2785645 6.53 333.2832642 7.12 335.3421021 4.17 337.3203125 3.92 338.5302124 1.90 339.3175659 2.68 341.2446289 2.40 343.3886108 6.57 345.1544189 1.37 347.0805054 3.32 349.2129517 2.27 351.3162231 4.33 353.3259277 4.68 354.3390503 0.28 355.2865601 3.96 357.2638550 2.17 359.1644287 3.10 360.5894775 0.39 361.3901978 4.80 363.3078003 2.81 364.4008789 1.89 365.3600464 12.86 367.4588013 2.25 369.3100586 2.91 371.2229614 3.44 373.2246094 4.20 375.4554443 8.68 376.9519043 1.64 377.6179199 7.65 379.3563232 1.32 380.4179688 0.24 381.2451172 1.89 383.4085083 1.57 385.2887573 2.03 386.7485962 0.70 387.4074097 34.77 388.0493774 0.18 389.2116699 6.70 391.2391968 30.05 391.9248047 0.20 393.5073242 2.04 395.5147095 5.81 397.4155273 1.81 399.3266602 3.54 401.3433838 5.13 403.3912964 0.84 405.3214111 2.10 409.3538208 0.45 411.5653076 1.05 413.4342651 16.98 415.4000854 3.29 417.4256592 1.97 419.3239136 42.97 420.4921265 1.28 421.2800293 0.49 422.0594482 0.94 423.7006836 0.59 425.4658813 3.66 427.0274658 2.72 427.7066040 0.96 428.4652710 1.54 429.3464355 3.79 430.7595825 4.02 431.4222412 40.78 433.4667358 0.37 439.4238892 0.75 441.4079590 9.29 443.3339844 12.02 444.6694946 0.53 445.5079956 2.32 447.3931274 0.94 449.8048096 1.10 453.5355225 1.37 454.7174072 0.80 455.3974609 1.61 457.1835938 5.46 459.5554199 0.56 461.3961792 1.12 463.2675171 0.27 465.2821655 0.18 467.2352905 1.54 469.0293579 0.53 471.6456299 1.63 473.8121338 0.72 475.8648071 0.95 478.5430908 0.44 479.6411743 4.04 480.6341553 0.73 481.4608765 2.01 483.3040771 0.56 485.4126587 3.68 487.6096191 2.01 489.4605713 1.31 491.6622925 0.80 493.4746704 2.13 494.4624634 1.12 495.3954468 0.65 497.0786743 2.45 499.4087524 5.02 502.9577637 2.12 505.3723755 2.58 507.4553833 37.72 508.8442383 0.48 513.3856812 2.08 518.3300781 0.56 520.7017212 0.42 523.2716064 4.01 525.4572754 7.33 531.7117310 0.38 539.5241089 2.93 540.3280640 1.89 541.5220947 4.70 543.4180298 25.20 545.6864624 0.46 552.5698853 1.29 553.7522583 0.83 557.3878784 2.39 563.4891357 10.81 571.4864502 1.51 581.4602051 94.66 584.6113892 1.05 585.3773804 1.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 887.245 Annotation Unknow Peak:m/z Relative Intensity 266.9501343 0.15 269.8913574 0.09 343.2802734 0.06 413.6851196 0.44 443.0037231 0.33 465.3408203 0.04 492.4003906 0.17 502.4134521 0.23 519.5278320 0.07 521.0294800 0.12 531.2360840 0.08 538.4025269 0.17 545.2871094 0.68 572.1508179 0.28 573.3008423 0.12 585.5340576 0.08 598.2404175 0.19 628.7072754 0.05 630.4934082 0.29 637.1543579 0.52 687.4475708 0.18 697.3496094 0.15 706.9870605 0.05 710.5343018 0.09 711.4750366 0.39 713.3327026 0.14 724.1044922 0.21 729.1563110 0.17 738.2785034 0.13 746.4758911 0.05 752.6288452 0.07 765.5468140 0.07 798.5465088 0.06 801.2297363 0.88 808.3721313 0.07 825.5274048 0.09 827.0729370 0.10 834.5296021 0.59 840.6283569 0.08 841.5606079 0.11 843.3604126 100.00 850.3667603 0.12 855.4667969 0.36 867.1533813 0.12 868.9019775 0.71 869.5793457 0.78 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 332.1331 Annotation Glochidionolactone A Peak:m/z Relative Intensity 101.6795883 0.01 106.0029449 0.05 108.0435486 1.73 109.0801697 0.01 112.1978378 0.05 115.1221771 0.01 122.9589233 0.07 124.1488037 0.13 131.9066315 0.02 133.9882812 0.69 135.9859314 1.95 143.0289307 0.02 145.2810364 0.02 148.1250610 0.01 151.9331970 6.19 154.0907593 0.04 166.0405731 0.03 169.9539337 7.29 171.9338379 0.03 180.2038574 0.07 189.1353455 0.01 194.0559540 0.09 196.2659302 0.03 204.3703156 0.02 211.9770203 0.06 227.9582825 0.03 230.1406860 0.03 232.0083618 0.01 248.0552063 0.01 251.1871948 0.07 272.0888062 0.01 283.7818604 0.04 286.2686157 0.11 296.2102661 0.38 304.2842102 0.01 314.1587219 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 352.243 Annotation Unknow Peak:m/z Relative Intensity 189.9397583 0.60 232.4555054 0.26 235.0994263 100.00 298.4431763 0.17 306.5680542 2.41 307.3434448 1.46 322.1912231 0.21 338.2847900 0.86 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 374.81 Annotation Unknow Peak:m/z Relative Intensity 139.9285126 0.11 207.0727997 8.97 218.9579468 1.41 222.9519043 54.99 224.7679749 0.20 245.0986633 0.40 274.3898621 0.14 276.1290894 0.27 287.1909790 1.28 290.8540039 100.00 297.3109131 0.27 303.8153381 0.75 306.8796387 12.13 314.2284546 0.99 317.3011780 0.59 328.9932861 0.55 347.4832458 0.44 357.4596558 0.40 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 939.4244 Annotation Betavulgaroside VIII Peak:m/z Relative Intensity 270.9707642 0.07 303.1952209 0.05 306.6223755 0.12 329.3613281 0.09 363.2224121 0.10 389.6556396 0.03 391.5469971 0.04 392.5523071 0.04 393.5126953 0.03 403.6016541 0.04 404.2231445 0.04 405.4287109 0.17 407.6610718 0.16 409.4038696 0.17 421.3918457 0.15 423.4193115 0.29 433.3834229 0.15 434.7926025 0.04 435.5069580 0.03 437.3593140 0.20 439.4497681 0.87 447.6925659 0.08 451.4027710 4.37 453.4292603 0.16 465.4681396 0.13 467.4489136 0.25 469.3947144 23.88 470.0148926 0.09 471.3894043 2.83 475.5422974 0.04 479.5223389 0.03 481.5915527 0.09 483.4544678 0.18 485.4484863 0.08 491.3716431 0.05 493.2177124 0.19 493.8178711 0.30 495.6296997 0.12 497.4206543 1.68 499.0474854 0.14 505.6764526 0.06 507.3182983 0.17 509.4819336 0.14 511.6483765 0.26 513.1812134 0.14 519.4554443 0.12 521.3527832 0.07 523.3356934 0.68 525.4517212 0.36 527.4558716 0.12 529.6472778 0.08 531.5598755 0.23 533.5675659 0.05 535.3623047 0.21 537.2902832 0.27 539.3282471 0.15 541.6473999 0.08 547.2832642 0.19 549.4940796 0.15 551.3390503 4.04 551.9391479 0.04 563.5734253 0.05 565.4050293 20.75 566.0853882 0.01 567.3601074 0.95 583.4458618 9.97 585.4781494 0.66 597.1436157 0.13 601.4776001 0.78 609.4002686 2.23 611.7059937 0.06 615.3681030 0.03 622.3276978 0.08 625.7691040 0.06 627.4869995 1.75 645.5294800 0.83 659.3511353 0.12 671.2541504 0.10 687.2991943 0.05 689.3872070 0.03 701.2896118 0.06 715.4871216 10.09 718.1071167 0.06 727.3471069 0.22 733.5778809 1.59 745.3143311 0.10 747.3231201 0.74 759.4096680 0.40 771.4481812 0.26 777.4370728 100.00 778.0938721 0.30 789.5338135 0.27 799.8466187 0.08 807.5092163 3.67 808.5633545 1.64 809.5250244 0.52 819.4581909 2.05 823.4838867 0.16 827.0432739 0.11 861.8621216 0.12 877.4234009 0.07 879.2782593 0.24 879.8905029 0.03 893.2741699 0.13 894.6006470 0.32 898.0629272 0.03 903.3422241 0.06 907.4508057 0.07 921.3013306 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 997.5 Annotation Unknow Peak:m/z Relative Intensity 325.2126160 0.02 349.5668640 0.13 363.5380554 0.11 367.3892212 0.21 381.3715820 0.09 405.2620544 0.06 409.3970032 1.53 411.6073303 0.18 419.5028076 0.19 421.5054321 0.85 422.4089661 0.14 423.4519958 0.18 425.4069214 1.69 437.3894043 1.36 439.4981079 3.94 453.4091187 0.09 455.5003967 0.69 457.6779175 0.04 465.3672791 0.12 467.5103455 0.25 483.3772583 9.46 484.3574219 0.06 489.4980469 0.09 497.7551270 0.08 501.4166260 37.79 511.2774353 0.11 515.4860840 0.36 525.4925537 1.62 543.4017334 3.35 569.5002441 0.60 571.5117188 0.10 583.6124268 0.11 585.5303955 0.25 587.5917358 1.08 589.3651123 0.10 611.6054077 0.16 629.1186523 0.43 629.7411499 0.49 645.7465210 0.45 647.5488281 2.04 653.3939209 0.04 663.5932617 0.24 671.3419800 0.52 689.6058350 1.34 723.5416870 0.04 729.7749023 0.06 731.7392578 0.05 739.5928345 0.19 745.3745117 0.27 747.5548096 0.14 749.2806396 0.17 757.5021973 3.67 776.0550537 0.04 791.4581299 0.83 792.8641357 0.02 793.5328369 1.75 799.3303223 0.13 803.7518311 0.19 809.5144043 0.11 815.4230957 0.39 817.3234863 0.30 833.4689941 2.74 835.3192139 0.37 835.9310303 0.15 851.5855713 3.17 865.5501709 0.29 875.7122803 0.10 880.5856934 0.06 893.4700928 0.13 937.5759277 4.74 938.7070312 0.10 955.5468750 100.00 956.3831787 0.36 979.4902344 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1146.8054 Annotation Unknow Peak:m/z Relative Intensity 374.3670044 0.05 382.1531067 0.06 392.4739075 0.34 394.2198181 0.13 395.5373840 0.09 404.4825439 0.19 408.4566650 0.10 414.4848328 0.04 444.0975952 0.06 447.2314453 0.12 449.5309143 0.10 458.4801025 0.15 462.3348999 0.11 463.0839844 0.03 479.3303223 0.14 516.4146729 0.12 520.8233643 0.08 533.5993042 0.10 534.3776855 0.10 537.3441772 0.14 539.1679688 0.37 546.4025269 0.15 557.1843262 0.08 565.6233521 0.07 588.5305176 0.26 595.6354980 0.10 612.5242920 0.18 614.7385254 0.09 624.3986816 0.44 625.4910889 0.13 626.1737061 0.18 639.3937988 0.05 641.9647217 0.07 652.4432373 0.55 653.0639648 0.28 670.5291748 0.11 673.6356812 0.12 680.4494019 0.08 683.6863403 0.21 695.4711304 0.11 701.6790771 0.13 704.2794800 0.30 706.0155029 0.38 738.2454834 0.13 739.6470337 0.11 742.4656982 0.20 749.5910645 0.13 753.1904297 0.06 763.3269043 0.28 765.3822021 0.51 766.5079346 0.28 767.1627197 0.05 773.5072021 0.17 800.5438232 0.11 834.5000000 0.28 835.3087158 0.03 858.5280762 0.04 861.4041748 0.08 864.5827637 0.39 865.6558838 0.06 866.5848389 0.11 868.7889404 0.13 886.6129150 0.08 892.5230713 0.38 893.7747803 0.07 900.6353760 0.14 902.6114502 0.08 909.3210449 0.05 919.2720947 0.42 934.1236572 0.10 937.8836670 0.42 941.6889648 0.45 942.6353760 0.17 943.5294189 0.09 944.8146973 0.56 945.7125244 0.08 947.7496338 0.19 954.5706787 0.63 957.1855469 0.06 958.5590820 0.88 959.4637451 0.07 961.6673584 1.21 962.6685791 0.14 966.9720459 0.79 968.4760742 0.07 969.9888916 0.10 971.3221436 0.23 972.0905762 0.66 974.6395264 0.27 977.2915039 0.67 981.3117676 0.21 984.6307373 0.69 988.8865967 0.08 990.2990723 0.22 992.8913574 1.22 993.5891113 0.29 994.8168945 0.21 995.6174316 0.30 997.2650146 0.29 998.6105957 0.65 999.2413330 0.30 999.8496094 0.20 1002.0817870 0.11 1004.7684330 1.25 1005.5250240 0.06 1009.2951660 0.26 1011.8232420 1.14 1013.8780520 3.07 1014.6013180 0.10 1015.5714110 0.72 1016.7547610 1.26 1017.4567870 0.07 1018.4852290 0.91 1019.9875490 0.61 1021.3608400 0.50 1021.9633790 0.58 1022.9437260 1.23 1023.7871090 0.43 1024.7905270 0.23 1026.0260010 0.12 1027.8474120 0.49 1028.6550290 1.46 1029.2756350 0.06 1031.3458250 0.77 1032.3154300 1.03 1033.2133790 0.23 1034.5053710 0.11 1036.5417480 0.51 1037.6209720 1.25 1038.5622560 0.74 1039.3801270 0.34 1041.3818360 0.40 1042.8197020 2.48 1043.8085940 0.81 1044.5329590 0.35 1045.5581050 0.87 1046.1875000 0.58 1047.4963380 0.76 1048.1409910 0.60 1048.8872070 1.09 1050.5217290 1.60 1051.2707520 0.38 1053.8956300 1.29 1054.5184330 0.87 1055.2319340 0.91 1056.2126460 0.29 1056.8126220 2.01 1058.4320070 0.34 1060.1879880 0.87 1061.2099610 1.77 1062.4350590 1.24 1063.2172850 0.26 1064.3344730 0.33 1065.3981930 1.21 1066.3999020 2.47 1067.4262700 2.35 1068.6081540 0.56 1069.6356200 1.72 1070.5538330 1.30 1071.2128910 5.05 1072.0756840 1.25 1073.3120120 0.43 1075.3797610 2.63 1076.5214840 5.32 1077.4223630 2.54 1079.4136960 0.48 1080.8959960 0.26 1081.8138430 3.24 1082.4696040 0.68 1083.7012940 1.70 1084.7150880 0.68 1085.7919920 0.83 1086.6660160 0.50 1087.4000240 7.52 1088.3337400 3.63 1089.0324710 0.81 1089.8916020 1.09 1090.9875490 0.87 1091.9683840 0.32 1093.0612790 6.38 1094.4349370 3.71 1096.4638670 0.12 1097.2478030 1.43 1098.3436280 8.97 1098.9881590 3.32 1100.3170170 4.92 1101.0184330 0.09 1102.2442630 1.87 1103.1958010 6.24 1104.2221680 4.22 1104.9459230 1.07 1105.6783450 0.31 1106.9752200 1.54 1107.9626460 1.86 1108.8736570 28.75 1109.7639160 10.46 1110.5760500 2.38 1111.5924070 2.18 1112.8630370 2.42 1113.8050540 3.95 1114.4359130 10.21 1115.4472660 0.54 1116.8898930 6.20 1118.0444340 2.60 1118.8330080 0.44 1120.1552730 22.02 1121.1674800 0.70 1121.7774660 0.34 1122.6751710 0.19 1123.8275150 1.50 1125.3430180 2.51 1126.0505370 100.00 1127.2470700 3.20 1128.0485840 0.86 1128.8391110 0.32 1130.0200200 2.32 1130.7326660 0.37 1131.4124760 2.03 1132.3072510 9.03 1133.1057130 1.08 1135.0538330 1.31 1135.6707760 8.68 1138.0712890 0.22 1140.6292720 0.12 1141.8256840 0.12 1143.0280760 0.14 1155.6452640 0.26 1159.1967770 0.34 1166.5577390 0.06 1170.9659420 0.57 1172.0596920 0.31 1175.5369870 0.05 1178.1474610 0.36 1180.7901610 1.23 1181.4719240 0.33 1206.5347900 0.25 1208.6604000 0.33 1209.4399410 0.14 1211.9174800 0.19 1212.8408200 0.35 1219.7379150 0.33 1223.6351320 0.06 1225.8232420 0.04 1230.7116700 0.84 1232.6474610 0.22 1244.5062260 0.09 1251.5112300 0.20 1255.8464360 0.27 1257.7438960 0.29 1260.2911380 0.07 1261.2443850 0.71 1264.9017330 0.55 1265.7751460 0.82 1274.1882320 0.09 1275.1577150 0.41 1276.2033690 0.10 1277.7282710 0.30 1279.0747070 0.68 1280.2458500 0.57 1287.9382320 0.95 1288.7949220 2.03 1289.5931400 0.41 1292.4000240 0.41 1296.6229250 0.16 1299.0919190 0.21 1300.4581300 0.17 1302.2922360 0.25 1302.8967290 0.17 1303.5327150 0.31 1310.1259770 0.36 1312.2623290 0.42 1317.9769290 0.22 1319.8041990 0.59 1320.4366460 0.53 1322.3253170 0.21 1323.5220950 0.23 1324.9696040 0.19 1326.1523440 0.13 1327.9418950 0.06 1329.4012450 1.20 1333.8420410 0.66 1335.6268310 0.21 1337.4224850 1.64 1338.3275150 2.99 1338.9908450 0.57 1342.9666750 0.04 1345.9936520 0.15 1346.7979740 0.52 1348.3121340 0.13 1354.4096680 0.10 1359.2078860 0.52 1360.4962160 0.43 1361.7161870 0.25 1363.5628660 0.26 1364.6297610 0.28 1366.5330810 0.16 1372.9678960 0.16 1374.7009280 0.17 1379.9565430 1.29 1380.7551270 0.84 1382.4879150 0.14 1384.9788820 1.40 1385.7518310 0.57 1386.6143800 0.22 1387.7503660 0.20 1391.1323240 0.45 1392.2613530 0.92 1394.3424070 2.29 1395.2697750 1.84 1399.6932370 0.09 1401.8890380 0.44 1402.8895260 0.42 1406.2602540 0.11 1407.6235350 0.27 1410.2056880 0.30 1411.5839840 0.11 1415.6390380 0.70 1417.9018550 0.13 1418.9492190 0.24 1420.9573970 0.10 1422.1032710 0.42 1423.3575440 0.40 1424.6407470 0.98 1427.7307130 0.25 1429.1140140 0.41 1429.8734130 0.38 1430.9979250 0.13 1432.6163330 0.31 1437.3658450 0.07 1438.2302250 0.32 1440.0062260 0.42 1441.1995850 0.26 1442.5167240 0.37 1443.4154050 0.25 1444.4686280 0.29 1445.8745120 0.25 1446.9073490 0.37 1449.3046880 0.05 1450.3533940 0.38 1451.3826900 1.55 1452.5462650 1.07 1454.1429440 0.16 1457.7603760 0.79 1458.4803470 0.22 1459.5570070 1.12 1460.4971920 0.16 1461.1378170 0.16 1463.5738530 0.31 1465.6875000 0.21 1466.9071040 0.10 1467.7340090 0.07 1471.5540770 0.89 1472.5413820 0.71 1474.0205080 0.36 1475.4429930 0.26 1478.6131590 0.03 1482.4410400 0.56 1484.4195560 0.23 1485.0660400 0.31 1486.0773930 1.07 1487.5535890 0.18 1488.6199950 1.06 1489.3328860 0.23 1493.1505130 0.09 1494.3385010 0.37 1496.3338620 0.55 1497.0820310 0.05 1498.3206790 0.33 1499.0882570 0.66 1502.2110600 0.56 1504.9278560 0.45 1506.1268310 0.96 1507.0750730 0.43 1507.9739990 0.22 1508.9980470 0.16 1510.6239010 0.95 1511.3718260 0.23 1512.6346440 0.62 1515.2222900 0.19 1516.2580570 1.09 1517.0366210 0.48 1520.7012940 4.30 1521.6705320 0.93 1522.7224120 0.23 1524.1080320 0.94 1525.0633540 2.05 1525.8248290 1.34 1526.4642330 0.07 1527.5041500 0.13 1528.7872310 0.26 1529.8664550 0.32 1531.2550050 0.15 1532.2796630 0.81 1533.1378170 0.24 1534.6711430 0.81 1536.7132570 0.49 1538.5780030 0.72 1540.0396730 0.50 1541.3226320 0.18 1545.0557860 0.19 1545.9097900 0.64 1547.5678710 0.60 1548.7454830 0.54 1549.6655270 1.20 1550.4344480 0.35 1551.5759280 0.43 1553.0941160 0.19 1555.5303960 1.19 1556.5467530 0.47 1557.3093260 1.15 1558.1934810 0.28 1559.2144780 0.18 1561.3343510 0.67 1562.3807370 0.11 1563.1567380 0.27 1564.0899660 1.14 1564.9044190 0.45 1565.6035160 0.51 1566.5595700 3.27 1567.7878420 0.28 1568.4171140 0.14 1569.7651370 0.42 1570.5490720 0.33 1571.1583250 0.67 1571.7932130 2.44 1573.1446530 0.39 1573.7503660 0.22 1574.8012700 0.05 1578.3022460 0.29 1579.0587160 0.35 1579.9616700 0.66 1580.7252200 0.85 1582.0891110 1.13 1584.3033450 0.47 1589.2843020 1.73 1590.2871090 3.07 1590.8892820 0.52 1594.0983890 2.47 1594.8941650 1.00 1598.2218020 5.41 1599.1223140 5.91 1599.7825930 0.59 1601.4256590 0.14 1602.9396970 2.80 1603.8532710 0.74 1605.4224850 1.19 1606.9393310 0.68 1608.5504150 0.20 1611.1312260 0.17 1611.9932860 0.52 1612.7364500 0.25 1614.5085450 1.14 1615.3609620 2.15 1616.1428220 0.35 1618.2185060 0.34 1620.2301030 0.24 1620.9678960 0.08 1622.2926030 0.60 1623.3894040 0.30 1626.3449710 0.15 1629.7526860 0.10 1635.1035160 0.19 1638.3361820 0.31 1639.3442380 0.04 1640.0028080 0.06 1643.7928470 0.31 1646.7989500 1.09 1647.9102780 1.07 1650.0391850 0.55 1651.8162840 0.16 1654.9261470 0.08 1656.1098630 0.34 1662.8978270 0.37 1668.9222410 0.20 1671.9022220 0.79 1683.2369380 0.07 1690.5197750 0.22 1713.0549320 0.08 1720.7370610 0.27 1721.7194820 0.06 1766.8724370 0.35 1794.1649170 0.34 1801.3907470 0.10 1824.7536620 0.14 1851.9715580 0.03 1882.6163330 0.11 1891.8717040 0.30 1925.7238770 0.08 1927.7738040 0.10 1951.4416500 0.15 1978.8024900 0.07 1983.3983150 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 736.4307 Annotation Unknow Peak:m/z Relative Intensity 215.2164917 0.16 220.9476166 0.31 239.2784729 0.15 241.2787476 0.09 243.2472534 0.06 257.0768127 0.04 259.2248230 0.07 261.1368103 0.15 262.7481079 0.02 264.9865112 0.03 283.0097656 0.03 287.1955261 0.13 290.2538757 0.07 302.2374573 0.01 303.2502136 0.02 305.2429199 0.94 306.7036133 0.06 308.9975586 0.32 309.6954346 0.04 311.1091919 0.09 323.4243164 0.02 328.9204712 0.03 331.0581665 0.38 333.1774902 0.06 335.2036133 0.08 347.4859619 0.22 349.2814941 0.80 351.1622314 0.11 353.0548706 0.33 357.3732910 0.09 367.2654419 0.05 371.0903320 0.15 375.2522583 0.53 376.3837891 0.05 384.2694092 0.08 391.5811157 0.03 393.3613281 1.35 395.4234619 0.20 397.1989746 0.20 399.4584351 0.11 401.2329102 0.02 407.0501099 0.08 411.1508179 0.07 413.2566528 0.09 419.2271729 0.07 420.9946289 0.04 425.5663452 0.12 429.0959473 0.06 433.3843384 0.10 435.4682617 0.11 437.2793579 1.52 439.2721558 0.06 447.3965454 0.04 452.1404419 0.06 455.1318970 0.14 459.3991699 0.09 462.4344482 0.06 463.6506958 0.10 470.4031372 0.13 474.4429321 0.10 479.2308960 0.14 479.8419189 0.03 481.2139282 1.23 487.2167358 0.14 487.9548340 0.11 488.5657959 0.04 495.5276489 0.10 496.3616943 0.02 497.7189331 0.03 499.3090820 0.44 503.3953857 0.14 523.1610107 0.12 525.2052002 1.28 527.4602051 0.04 531.4255981 0.08 532.3221436 0.02 538.0925293 0.09 543.3240356 0.38 549.2372437 0.04 551.4040527 0.02 553.0889282 0.04 555.3521729 0.05 557.4807739 0.05 559.0664062 0.11 560.2453613 0.09 564.5117798 0.08 565.8919678 0.11 566.7062378 0.06 567.6078491 0.03 569.1987915 1.27 569.8544312 0.02 572.5161133 0.20 574.3239136 0.27 577.3920898 0.25 587.3218994 0.40 591.2740479 0.03 604.2302856 0.09 610.5159302 0.07 613.2267456 0.86 613.9282837 0.12 615.1663208 0.07 619.0245972 0.02 627.5497437 0.09 631.2207031 2.48 631.8621216 0.11 635.3972778 0.03 639.1201172 0.01 641.2926636 0.05 646.6225586 0.22 647.2971802 0.03 653.5003662 0.10 657.2115479 0.38 660.6426392 0.25 664.9114990 0.04 669.1412964 0.03 672.2874146 0.11 672.8969727 0.05 675.3643188 2.41 676.5569458 0.05 682.9291382 0.26 686.2427368 0.04 689.5702515 0.08 690.3067017 0.08 691.2072754 0.14 692.2674561 0.23 692.9157715 0.19 699.6710205 0.05 701.2201538 1.38 704.3121948 0.11 708.2615356 0.03 717.4290771 0.08 719.3121948 100.00 720.0168457 0.23 727.0566406 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1087.4993 Annotation Medicagenic acid 3-O-b-D-glucuronide 28-O-[b-D-xylosyl-(1->4)-a-L-rhamnosyl-(1->2)-a-L-arabinosyl] ester Peak:m/z Relative Intensity 387.3698730 0.03 393.3016968 0.04 405.5812073 0.20 421.6162109 0.07 423.7557373 0.03 425.3114624 0.44 439.5122375 0.64 447.5598145 0.05 449.4557495 1.00 451.6036377 0.13 453.5034790 0.20 455.4352417 0.84 456.3854370 0.11 463.6704712 0.04 465.1936646 0.15 467.4552002 11.16 469.5666504 0.07 471.3501587 0.12 479.4559937 0.16 481.6997681 0.04 483.3008118 0.49 485.4984131 23.33 487.3208313 1.17 489.6400146 0.27 491.2034912 0.05 493.3710327 0.40 499.4411011 0.21 507.3458862 0.03 509.6472473 0.45 511.6328735 0.05 513.4651489 0.12 517.4539185 0.09 519.7853394 0.12 527.5469971 0.33 535.4406128 0.79 539.4029541 0.20 541.4082642 0.14 543.5867920 0.03 545.3380737 0.27 549.2565918 0.03 553.6271973 1.87 555.5811768 0.18 557.3409424 0.56 561.8021240 0.03 563.4508057 1.37 565.5540771 0.16 567.4372559 4.19 569.5339355 0.22 579.5191650 0.27 581.4344482 6.74 582.0899658 0.03 583.5333252 0.89 595.2276611 0.05 599.4726562 3.00 617.4228516 0.11 623.2900391 0.04 625.4514160 2.36 643.4733276 0.16 647.8190308 0.15 648.7010498 0.06 649.7792969 0.04 659.4863892 0.12 689.7856445 0.08 697.4794922 0.07 705.9305420 0.06 713.5742188 3.83 714.2534180 0.01 715.6728516 0.07 726.4868164 0.12 729.3493652 0.12 731.5680542 9.32 741.7119141 0.11 743.9031982 0.07 747.9382324 0.04 749.4184570 3.72 757.3782349 0.06 761.6022949 0.04 775.3970947 3.37 787.5821533 0.05 789.2299194 0.18 793.4277344 2.61 794.1509399 0.28 805.5421143 0.14 811.7611084 0.11 833.1812744 0.30 839.2567139 0.09 840.2884521 0.14 845.4627686 0.20 848.5510254 1.25 849.6721191 0.54 863.3658447 0.08 865.2493896 0.22 866.6505127 0.16 879.7126465 0.04 881.6120605 0.31 882.6937256 0.38 883.7382812 0.13 888.5032959 0.30 889.3251953 0.02 893.6479492 0.14 906.6975098 0.35 907.5885010 0.22 910.4809570 0.18 911.6148682 0.34 919.3443604 0.06 925.5091553 100.00 926.3360596 0.32 933.3640137 0.11 937.4770508 0.85 940.4615479 0.17 941.3901367 0.20 942.0175781 0.05 948.8521729 0.15 950.3354492 0.13 951.2482910 0.17 953.3364258 0.13 955.5085449 11.54 956.5134277 1.67 957.6066895 0.73 964.6169434 1.20 965.6463623 0.96 967.3554688 0.47 984.2916260 0.31 985.5084229 0.13 990.5650635 0.05 991.6020508 0.10 993.6068115 0.11 994.3735352 0.07 997.1966553 0.24 998.4023438 0.57 999.5290527 0.62 1000.3800050 0.93 1008.3564450 2.12 1009.4570310 1.17 1011.4322510 0.50 1014.7199710 0.07 1025.3126220 0.11 1028.3536380 0.10 1037.3835450 0.55 1042.3505860 2.32 1043.4021000 0.89 1052.2270510 0.05 1052.9459230 0.05 1055.4782710 3.83 1068.3227540 0.08 1069.4866940 0.86 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1275.2146 Annotation Unknow Peak:m/z Relative Intensity 370.3815308 0.28 371.2848816 0.14 388.3114624 0.13 410.0683289 0.14 428.1495361 0.28 437.1205444 0.14 558.4437256 0.04 560.4907837 0.06 586.5029297 0.09 599.6259155 0.10 607.4953003 0.03 645.7248535 0.28 694.3511963 0.13 710.9772949 0.06 717.9810791 0.28 725.1838379 0.04 735.7617188 0.57 736.5798340 0.30 754.6651611 0.05 757.5738525 0.30 769.7874756 0.10 773.9620361 0.13 776.3596191 0.34 777.4658813 0.18 780.3869019 0.06 795.0670776 0.05 795.9822998 0.51 798.7985840 0.12 800.3515625 0.24 806.5692139 0.09 807.4982910 0.33 808.7593994 0.16 809.5325928 0.42 813.4577637 0.11 815.3944702 0.14 821.5350342 0.44 823.4484863 0.32 827.6276855 0.16 830.0855713 0.04 831.7713013 0.27 832.6627808 0.18 835.8043213 0.15 839.4674072 0.21 841.1685791 0.05 842.4503784 0.32 844.1276855 0.05 846.6446533 0.96 848.1757812 0.44 849.5501099 1.79 850.2885132 0.29 851.7348633 0.20 854.0717773 0.21 854.6943359 0.05 856.2974854 0.43 857.1829834 0.13 861.5722656 0.27 862.9104004 0.07 863.7337646 0.77 864.6486816 0.81 866.7962646 0.25 868.2285156 0.74 871.5367432 0.29 873.2514648 0.37 877.3538818 0.55 878.0375977 0.11 879.3442383 1.24 880.0822754 0.51 881.0710449 1.08 882.6822510 0.27 883.5849609 0.11 884.3852539 0.06 886.1749268 0.91 892.7622070 0.21 894.5687256 0.28 897.2410889 0.36 899.3648682 1.17 899.9682617 0.48 900.7849121 0.54 903.3658447 0.15 904.4099121 0.14 905.6994629 0.14 907.7456055 0.13 909.1008301 0.21 910.2376709 0.41 910.9093018 0.08 911.5786133 0.13 912.7756348 1.10 913.4765625 0.18 914.3492432 0.23 915.4582520 0.58 916.1676025 0.05 917.1791992 0.26 918.4582520 1.84 919.5261230 2.67 920.9757080 1.58 921.6507568 0.09 923.1221924 0.05 924.2469482 0.10 925.4483643 0.13 926.2305908 0.84 927.4260254 2.39 928.1961670 0.70 929.1391602 0.99 929.8873291 0.30 932.3886719 0.28 934.3096924 2.38 935.1575928 1.50 936.2457275 1.06 937.2290039 1.60 938.5667725 0.73 940.2370605 0.56 940.9821777 0.15 942.0958252 1.88 943.1345215 6.09 944.2174072 3.21 945.7990723 0.35 947.6213379 0.29 948.8157959 0.45 949.7784424 0.06 950.4610596 0.27 951.4013672 1.27 952.1937256 1.94 953.1260986 1.77 953.9084473 0.17 955.2922363 0.60 957.3901367 1.13 958.7340088 0.51 959.6390381 0.43 960.3284912 0.06 960.9846191 0.15 961.6356201 2.20 962.3906250 0.92 963.9232178 2.06 964.7034912 0.40 966.6280518 0.38 967.6276855 1.10 968.3627930 0.79 969.6312256 0.95 970.8631592 0.89 971.8740234 0.42 973.2241211 0.09 974.5087891 0.03 977.3435059 1.43 978.2874756 0.96 978.9445801 0.24 980.8041992 1.36 983.1607666 0.97 985.1654053 0.45 985.8111572 0.46 986.6281738 3.43 987.5267334 0.68 988.3704834 0.10 992.2012939 0.20 994.1357422 0.81 996.6826172 0.28 997.8585205 0.49 998.9902344 1.13 1000.1789550 0.40 1001.3731690 1.13 1002.4013670 0.53 1003.0856930 0.23 1004.0538330 0.19 1004.7675780 0.10 1005.8117680 0.03 1007.9324950 0.08 1010.0670170 0.32 1010.7664790 0.04 1013.8750000 1.06 1014.8509520 1.01 1015.8928220 0.18 1016.9476320 0.15 1018.9045410 0.69 1019.9371340 0.65 1022.4134520 0.33 1023.6228030 0.62 1027.0778810 0.60 1029.4699710 0.06 1031.2391360 0.70 1031.8815920 0.13 1035.5522460 0.19 1037.7434080 0.19 1038.6420900 0.16 1041.2508540 0.11 1042.4262700 0.14 1045.8198240 0.09 1047.4443360 0.06 1052.9459230 0.05 1055.7080080 0.13 1059.6877440 0.39 1060.4495850 0.20 1061.4720460 0.32 1071.4746090 0.11 1072.3896480 0.65 1073.0665280 0.19 1075.7893070 0.11 1080.2097170 0.63 1086.3117680 0.07 1087.0444340 0.62 1088.0058590 0.27 1092.0375980 0.92 1092.9877930 0.48 1095.4852290 0.15 1098.7248540 0.17 1102.3784180 0.39 1103.5640870 0.20 1105.2526860 0.70 1108.2290040 0.06 1108.8896480 0.71 1110.3354490 0.19 1112.1416020 0.03 1116.4482420 0.08 1117.0944820 0.47 1118.6176760 0.32 1119.5062260 0.10 1120.7161870 0.36 1123.5025630 0.22 1127.7771000 0.86 1128.5578610 0.46 1130.0433350 0.29 1130.9372560 0.06 1131.7104490 0.83 1133.8087160 0.11 1135.0017090 0.79 1136.3291020 0.72 1137.3790280 0.38 1138.5603030 0.53 1140.0443120 0.04 1141.1340330 0.24 1145.0258790 1.08 1145.9671630 0.64 1147.0993650 0.34 1147.9067380 0.69 1152.4915770 0.53 1154.7042240 0.35 1157.2536620 0.44 1158.0548100 0.42 1159.3264160 0.30 1160.4327390 0.39 1161.3035890 0.40 1162.3718260 0.83 1163.3474120 0.88 1165.7609860 0.60 1167.8342290 1.29 1168.6208500 0.71 1173.0533450 1.10 1174.0651860 0.58 1174.7774660 0.93 1175.4481200 0.07 1176.9010010 1.39 1177.5955810 1.22 1178.8398440 1.63 1181.1795650 0.17 1181.8691410 0.39 1182.9926760 1.29 1184.1809080 1.07 1184.9135740 0.21 1188.0727540 1.34 1189.0235600 3.32 1190.5147710 0.64 1192.9786380 1.56 1193.8093260 0.17 1194.4885250 0.49 1195.2640380 0.98 1196.1854250 0.29 1197.5043950 0.33 1199.0191650 2.44 1199.7617190 2.66 1200.4697270 0.20 1201.5581050 0.05 1202.3961180 0.13 1203.0200200 0.93 1203.7731930 0.10 1204.5920410 1.30 1205.3771970 1.70 1206.0231930 1.06 1207.4260250 1.01 1209.4837650 1.80 1210.3820800 0.12 1210.9975590 2.66 1212.0100100 0.43 1212.7911380 0.49 1213.5319820 0.36 1214.5557860 1.45 1215.4837650 1.65 1216.5256350 4.14 1217.6267090 0.76 1218.3531490 0.44 1220.6844480 4.40 1222.0687260 4.87 1223.0593260 0.82 1223.8217770 0.65 1225.3236080 4.03 1226.1380620 3.68 1227.1108400 8.37 1227.9954830 1.17 1228.8405760 0.95 1229.6541750 1.42 1230.5000000 0.99 1231.6644290 9.71 1232.5345460 16.73 1233.4631350 6.41 1234.2708740 0.80 1234.9959720 0.96 1236.1810300 5.54 1236.9317630 12.87 1237.7735600 19.36 1238.7841800 5.63 1239.8959960 1.43 1241.3974610 3.81 1242.7408450 47.27 1243.4721680 30.29 1244.3168950 25.81 1245.0056150 7.15 1247.4047850 21.40 1248.4801030 34.05 1249.4807130 0.90 1250.2711180 2.87 1251.2189940 0.19 1252.8652340 19.00 1253.6876220 45.54 1254.5305180 100.00 1255.4484860 5.30 1256.2158200 1.22 1257.0339360 0.49 1258.5434570 11.53 1259.8514400 6.44 1260.6656490 0.48 1262.2817380 0.95 1263.0136720 0.12 1264.3168950 0.74 1286.5422360 0.40 1287.5109860 0.13 1293.3039550 0.07 1294.6511230 0.33 1298.5765380 0.14 1305.6225590 0.05 1312.0379640 0.11 1319.6123050 0.68 1321.1799320 0.38 1321.8652340 0.04 1327.9305420 0.09 1331.6617430 0.23 1336.9709470 0.30 1339.7476810 0.25 1340.8989260 0.29 1341.6018070 0.16 1342.6629640 0.10 1345.0491940 0.31 1346.5877690 0.25 1349.4569090 0.08 1350.6965330 0.09 1354.9853520 1.28 1356.3657230 0.13 1357.5714110 0.26 1360.0524900 0.17 1362.9084470 0.70 1364.2425540 0.41 1365.3150630 0.29 1366.5806880 0.27 1369.9418950 0.37 1370.9774170 0.36 1375.4256590 0.06 1380.0579830 1.13 1381.0479740 0.42 1383.5611570 0.20 1386.9562990 0.12 1387.6600340 0.28 1394.7127690 0.98 1395.6801760 0.30 1396.9344480 0.83 1402.9304200 0.18 1404.0126950 0.05 1406.6154790 0.58 1409.9003910 0.09 1411.7897950 0.81 1416.9813230 0.16 1424.7703860 0.29 1431.2469480 0.12 1435.7489010 0.10 1437.9820560 0.83 1438.8597410 0.46 1439.9598390 0.60 1443.5601810 0.21 1444.9542240 0.53 1445.8569340 0.31 1446.6634520 0.19 1447.7332760 0.28 1452.7778320 0.12 1454.4373780 0.18 1456.4328610 0.09 1466.1984860 0.36 1469.7717290 0.42 1470.4417720 0.26 1471.6556400 2.73 1472.9547120 2.78 1473.9506840 0.93 1474.8776860 0.34 1482.8717040 0.33 1484.8302000 0.22 1486.0473630 0.07 1499.2384030 0.04 1503.6691890 0.07 1504.5186770 0.05 1505.6870120 0.23 1520.2854000 0.24 1521.5277100 0.10 1522.5477290 0.13 1531.4859620 0.56 1533.4648440 0.22 1538.7801510 0.36 1542.9569090 0.12 1550.7445070 0.17 1562.5516360 0.04 1566.1954350 0.18 1568.0035400 0.16 1571.3690190 0.16 1578.6833500 0.06 1587.7847900 0.10 1589.7264400 0.19 1600.7586670 0.24 1602.7513430 0.12 1603.4785160 0.29 1607.5657960 0.20 1608.5184330 0.27 1612.8680420 0.05 1613.4929200 0.06 1615.9510500 0.11 1622.9000240 0.22 1625.8399660 0.55 1627.7056880 0.03 1628.4805910 0.31 1629.1586910 0.07 1638.0235600 0.26 1641.6958010 0.10 1644.5758060 0.50 1646.1551510 0.10 1650.6110840 0.19 1652.5777590 0.29 1653.3133540 0.94 1656.1265870 0.42 1658.7064210 0.17 1660.0770260 0.09 1661.4565430 0.13 1662.6696780 0.49 1665.6481930 0.04 1668.3614500 0.28 1669.1683350 0.41 1670.0236820 1.36 1670.7791750 0.46 1671.7406010 0.32 1672.7823490 0.69 1678.3953860 0.13 1680.0324710 0.30 1681.5152590 0.46 1682.3096920 0.12 1685.4670410 0.21 1686.6243900 0.43 1687.5659180 0.99 1689.4643550 0.03 1691.3319090 0.35 1693.8588870 0.40 1694.6285400 0.21 1699.7236330 0.29 1700.7264400 0.73 1701.5635990 0.05 1702.3140870 0.14 1702.9219970 0.40 1704.7276610 0.42 1705.5821530 0.17 1708.1771240 0.12 1709.7828370 0.26 1710.7136230 0.12 1711.6058350 0.28 1715.9162600 0.40 1716.8636470 0.30 1719.2056880 1.03 1721.6652830 0.38 1723.0179440 0.54 1724.7413330 0.22 1726.8980710 0.09 1728.1428220 0.38 1729.0738530 0.28 1729.9073490 0.63 1731.2222900 0.57 1733.9647220 0.17 1735.4646000 0.26 1736.1584470 0.10 1744.4234620 0.20 1745.7542720 0.52 1747.1481930 0.05 1752.4786380 0.93 1753.1262210 0.11 1754.5980220 0.48 1755.8020020 0.74 1756.8289790 0.94 1758.2717290 0.85 1759.3973390 0.26 1760.8039550 1.10 1761.7630620 0.52 1762.5671390 0.39 1764.0955810 0.45 1764.9689940 0.30 1765.6231690 0.53 1766.8386230 0.54 1768.0378420 0.04 1769.8239750 0.11 1771.2523190 0.30 1773.4913330 0.14 1774.7351070 0.13 1775.4559330 0.19 1776.4840090 0.44 1777.5916750 0.48 1778.3511960 0.17 1781.4162600 0.07 1783.0045170 0.24 1787.9973140 0.21 1788.9373780 0.83 1789.9471440 0.95 1790.6961670 0.74 1791.6175540 0.68 1793.0172120 0.10 1797.6086430 0.07 1798.8118900 0.76 1799.8568120 0.64 1800.9978030 0.68 1802.1375730 0.32 1803.7624510 0.68 1804.8829350 0.27 1805.5091550 0.05 1806.1561280 0.22 1808.9781490 0.21 1809.7702640 0.05 1810.7844240 0.54 1812.6702880 0.19 1815.6070560 0.24 1819.6893310 0.47 1821.3298340 0.36 1822.1739500 0.75 1822.9581300 0.29 1823.6815190 0.04 1824.8460690 0.31 1826.3363040 0.41 1827.4959720 0.40 1830.2586670 0.13 1831.0446780 0.08 1832.0533450 0.17 1832.8553470 0.76 1834.0949710 0.45 1835.1634520 0.54 1836.0588380 0.05 1836.7860110 0.09 1837.6373290 0.18 1838.6788330 0.38 1841.9812010 0.19 1842.8455810 0.36 1844.9752200 0.11 1845.6872560 0.05 1851.8372800 0.20 1852.4621580 0.09 1854.7764890 0.25 1856.0455320 0.12 1856.6649170 0.08 1857.8306880 1.23 1858.8831790 1.15 1859.8380130 1.10 1860.7374270 0.07 1863.7767330 0.12 1865.7420650 0.42 1868.8166500 0.20 1872.4351810 0.08 1873.4989010 0.18 1874.1771240 0.50 1874.8410640 0.20 1875.6392820 0.65 1876.7523190 0.39 1877.9732670 0.42 1879.7634280 0.06 1881.0031740 0.09 1881.6522220 0.12 1885.6408690 0.23 1886.6900630 0.63 1887.9544680 1.24 1888.7287600 0.33 1890.0994870 0.37 1890.8806150 0.25 1891.6885990 0.25 1893.6827390 0.03 1900.8542480 0.10 1901.6228030 0.17 1905.6949460 0.49 1907.6291500 0.06 1908.7458500 0.20 1909.7606200 0.06 1910.7608640 0.04 1920.7971190 0.06 1921.8680420 0.50 1922.5026860 0.23 1923.5980220 0.93 1925.8138430 0.15 1927.4024660 0.18 1928.8477780 0.20 1929.9157710 0.23 1932.5914310 0.06 1936.7427980 0.10 1939.4743650 0.05 1941.4387210 0.09 1943.5579830 0.06 1944.6004640 0.07 1945.6672360 0.19 1952.4011230 0.15 1953.7996830 0.09 1955.1448970 0.12 1956.9771730 0.05 1961.3077390 0.04 1961.9854740 0.29 1962.7834470 0.18 1970.0173340 0.06 1972.7452390 0.24 1973.4696040 0.08 1980.7667240 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 665.1809 Annotation Unknow Peak:m/z Relative Intensity 233.1649170 0.01 246.0994568 0.03 249.3042297 0.01 267.1488342 0.02 285.1209717 0.17 287.0174866 0.05 294.2382202 0.02 295.3348083 0.03 296.1062012 0.02 312.1254578 0.01 317.2247314 0.04 329.4176636 0.06 330.1071777 0.39 358.1092529 0.01 397.3386230 0.05 405.3759155 0.04 419.1315918 0.01 431.3453369 0.03 443.1399536 0.02 447.1893921 0.07 459.2639160 0.98 461.1232910 100.00 462.1870117 0.40 462.9371338 0.03 481.3087158 0.01 489.1043701 0.13 491.2843018 0.02 501.3285522 0.04 532.2304077 0.03 543.1490479 0.05 549.6366577 0.04 560.1702271 0.01 589.1659546 0.02 601.3377075 0.06 618.1703491 0.05 619.0285034 0.07 620.0604858 0.15 621.1722412 0.11 628.3128052 0.02 629.4888916 0.03 632.6806030 0.01 640.5680542 0.12 647.2258911 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1259.5747 Annotation Assamsaponin I Peak:m/z Relative Intensity 405.4055786 0.04 423.4997559 0.19 439.6903687 0.07 467.2865601 0.14 485.3831787 9.22 486.0077515 0.03 499.5192871 0.03 526.9882812 0.08 527.5933838 0.34 571.4772949 0.15 581.4066772 0.13 613.7777100 0.16 617.4320068 0.18 631.1539307 0.26 671.5566406 0.09 673.4112549 0.59 703.5880127 0.11 723.8163452 0.14 741.6912842 0.77 743.2941284 0.14 745.7345581 0.77 777.4555054 0.23 787.3897095 0.08 793.3612061 0.48 801.6389771 0.22 805.2967529 0.32 819.7299805 0.10 829.8338623 0.04 891.6132812 0.30 909.6502686 14.38 933.1458740 0.17 951.4976807 100.00 952.2392578 1.31 952.9158936 0.21 958.4877930 0.05 970.2915039 0.05 1042.8818360 0.27 1065.7966310 0.17 1066.4627690 0.02 1077.5642090 0.05 1091.5567630 0.07 1099.0885010 0.05 1106.5278320 0.07 1109.5656740 0.04 1127.5627440 1.19 1128.5438230 2.00 1129.6479490 0.77 1143.4644780 0.05 1155.5896000 0.81 1197.6798100 0.03 1212.4802250 0.38 1214.7170410 0.09 1229.8168950 0.16 1240.5378420 0.25 1241.4191890 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 451.79 Annotation Unknow Peak:m/z Relative Intensity 163.2265015 0.16 187.8921814 0.16 205.1844788 0.28 217.8270569 0.14 223.3672333 0.25 227.2326355 0.18 241.4609070 0.09 257.2711182 0.27 259.0088501 0.19 266.1451416 0.29 275.8000793 0.10 282.3988647 0.16 283.0852661 0.17 293.1785583 0.11 302.9856262 0.25 303.8406372 0.17 306.2472534 0.13 316.7708130 0.45 317.8645630 1.38 318.9700317 0.36 320.9523010 0.19 323.3228149 0.14 335.9488525 0.25 340.5213013 0.20 345.0335999 0.17 345.7532349 0.89 347.1431274 0.06 349.4912720 0.12 359.8639526 0.32 361.8475342 100.00 363.7386169 2.31 367.4901428 0.23 371.9299622 0.20 376.0253296 0.18 377.7280884 5.52 378.5916138 0.37 379.4565735 3.98 385.1965027 0.08 387.4285889 0.28 389.8092957 4.48 393.9283142 0.15 395.4757080 0.96 397.4424744 0.18 405.8506470 8.23 406.8494873 23.38 407.8136292 2.60 408.8562927 1.61 409.9057312 0.42 410.9383850 1.49 414.2601013 17.05 414.9929504 5.16 419.3503723 0.25 419.9665222 0.30 422.1226501 0.84 423.0995483 3.90 423.8406067 6.21 424.6446228 1.21 425.4002991 0.16 428.2931213 3.86 429.1718445 0.23 430.7571106 3.53 431.4311829 3.02 433.0883484 2.05 433.8219299 0.59 434.4837341 0.18 436.9422913 2.59 437.9270325 4.56 439.1770630 1.50 440.2215576 0.89 442.0229187 4.52 443.1492310 0.75 444.4826965 1.09 445.6971741 1.31 446.9965820 1.25 451.4979553 0.79 452.5252991 0.29 460.8101501 0.25 461.6133728 1.67 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 308.95 Annotation Unknow Peak:m/z Relative Intensity 90.8333969 0.04 94.9634857 0.14 96.9096603 0.17 97.9304810 0.32 99.1226578 0.02 100.8332291 0.09 110.8461609 0.02 111.9611588 0.05 114.9731216 0.04 116.8230286 0.10 119.1452942 0.05 121.1912994 0.02 123.0095367 0.29 139.1505737 0.07 139.8506165 0.09 142.0603333 0.03 147.1337891 0.13 151.1616821 0.07 152.1602783 0.29 154.0910034 0.09 156.9554596 0.05 161.2666931 0.04 166.0714111 0.06 175.2287750 0.33 181.1310577 0.13 182.3900452 0.10 187.0081635 0.04 188.7593689 0.18 193.1709900 0.03 194.9982452 0.07 196.8630676 0.35 210.1775208 0.09 213.0900269 0.09 215.2575378 0.03 217.1383362 0.08 221.0556335 0.08 223.2006836 0.06 229.0953064 0.03 231.0273132 0.02 233.1013794 0.17 234.3043823 0.03 235.3862610 0.20 236.2754211 0.08 237.2448730 0.12 238.1300964 0.11 239.2964783 0.20 245.3269653 0.28 246.9225464 0.20 248.0913086 0.10 248.7779541 0.03 251.9455566 0.12 252.5954285 0.04 262.9222412 7.65 264.6179810 0.66 265.3412781 0.47 267.8359680 100.00 268.8051758 0.07 272.0933838 0.07 273.2474670 0.56 274.2788391 0.10 275.2041931 0.08 279.1366577 0.35 280.7218933 2.08 282.5364380 0.05 284.8638611 1.09 285.5584412 3.62 286.6205750 0.48 288.0028076 0.03 290.1652222 0.71 291.2059937 1.57 292.6693115 0.17 294.7419739 0.13 296.9031372 0.04 297.9633789 0.51 299.4655151 0.21 303.3375854 0.42 304.3340454 0.05 305.9924622 0.11 308.4477844 0.27 309.2895508 0.09 317.4987793 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 273.12 Annotation Unknow Peak:m/z Relative Intensity 96.7820282 0.01 104.9078827 0.02 111.1471939 0.04 112.0318604 0.15 117.2100220 0.01 119.3966980 0.02 120.6821899 0.02 128.8803406 0.01 141.2615967 0.01 144.9091187 0.01 149.0036011 0.02 155.9783630 100.00 156.7614746 0.00 169.9511108 0.07 175.3271790 0.01 177.2618408 0.03 178.9665222 0.02 183.0592499 0.09 184.0536804 0.02 191.0903320 0.03 192.1513367 0.16 198.1521912 0.03 199.1711731 0.01 217.2980347 0.04 220.2467651 0.04 224.8377991 0.01 226.0380859 0.02 229.0628967 0.08 245.1903992 0.02 254.5519714 0.30 255.2866821 0.11 264.2135925 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 589.1902 Annotation Matteuorienate C Peak:m/z Relative Intensity 171.2416229 0.03 172.1454468 0.14 173.1153564 0.17 175.0874176 1.50 177.0909271 0.10 178.9618378 0.04 181.1966705 0.08 183.2982178 0.06 185.1006317 0.10 187.1264954 0.50 189.3150635 0.02 191.1364441 0.18 193.9238434 0.19 194.9613037 0.16 197.1850128 0.49 199.2189026 0.20 201.1380463 0.26 203.2357483 0.64 204.8952484 0.15 205.8528595 0.02 212.9123077 0.04 215.1739502 0.06 217.0802002 0.20 219.1123962 0.54 220.0737915 0.05 227.0969238 0.45 227.9053040 0.03 229.0463104 2.41 230.1564636 0.14 231.0089417 0.10 231.9830933 0.33 233.1552429 1.00 239.0808563 0.25 241.1231537 0.97 242.1549377 0.05 243.2234955 0.04 245.1982727 0.35 247.0080414 0.04 250.2935791 0.12 251.2739868 0.64 253.2590942 0.18 256.1939697 0.09 257.2301025 0.33 259.1868286 0.27 261.1450806 0.12 262.1968689 0.05 264.9604797 0.13 271.0372620 0.37 271.7964783 0.09 275.0530396 0.06 276.1998901 0.10 279.1177673 1.45 280.6975098 0.10 282.3395081 0.05 283.3508911 0.38 283.9896851 0.04 285.3178711 0.16 291.2238464 2.83 291.9979248 0.09 294.2409668 0.23 295.1886292 0.49 296.1619873 0.09 297.1112061 0.45 298.9338379 0.05 301.3447876 0.15 303.2679443 0.38 307.3638306 1.26 308.6196289 0.45 309.3095703 0.53 311.1975708 22.80 312.1132812 0.26 313.0903931 0.39 315.3551636 0.37 316.8967285 0.16 321.2369385 0.62 323.1431885 29.01 324.0532227 0.30 325.1931763 4.98 326.9292603 0.20 329.2802734 0.06 331.2109985 0.37 332.1004639 0.18 333.2351685 1.50 335.2152100 3.83 336.2628784 0.13 337.1838379 0.23 338.9566040 0.04 341.1140137 3.44 342.2223511 0.36 343.2982178 0.09 345.2769775 0.29 347.1856689 4.94 348.3306274 0.26 349.4919434 0.15 351.0244751 0.18 351.7266846 0.06 353.1625366 2.16 354.0170288 0.03 354.9112549 0.06 355.5971069 0.04 357.3191528 0.05 359.2318726 0.56 361.1906128 0.32 363.1967773 0.14 365.1379395 4.01 368.9661255 0.28 371.3419189 0.22 373.0737305 1.00 375.2299194 0.04 377.2299194 2.11 378.6732788 0.48 379.2980347 0.74 381.0892944 0.09 383.0520630 1.15 384.2208252 0.12 385.1113892 0.06 387.1989136 0.35 389.2246094 0.30 391.1333008 0.82 393.6956177 0.08 395.2559204 0.57 396.7747803 0.10 397.5888062 0.15 399.0985107 1.54 401.1727905 5.40 403.3029175 0.54 406.2039185 0.25 407.1091309 0.02 408.8198242 0.26 409.5720215 0.63 413.1511841 0.07 414.1227417 0.11 415.4191895 0.03 417.0437622 2.44 418.5803223 0.66 419.1858521 2.92 419.9932861 0.27 426.3801880 0.07 427.4018555 0.99 428.6096802 0.11 429.4610596 0.17 431.3093262 0.19 432.4663086 0.07 435.1613770 2.61 436.7004395 0.04 437.3375854 1.07 438.5122681 0.03 441.7691650 0.11 445.4210815 0.15 446.0477295 0.04 447.3961182 0.14 451.6195679 0.07 454.8939819 0.43 460.5469971 0.14 467.4205322 0.02 471.2989502 0.28 473.0653076 0.21 477.1843872 0.27 479.2556152 0.17 481.3415527 0.04 483.4044189 0.05 487.1231079 1.19 491.3369751 0.06 493.2468262 0.06 499.3713379 0.21 500.2422485 0.02 503.4270630 0.22 505.1934204 6.01 506.2567139 0.02 509.4275513 0.26 515.4826050 0.20 516.8980713 0.60 517.5716553 0.08 519.2755737 0.14 521.4515991 0.05 523.1098633 18.53 524.1187744 0.23 528.3024902 0.05 531.3634644 0.65 535.3999634 1.31 536.0780640 0.18 541.1651001 20.74 542.2018433 0.47 543.4024658 0.09 545.3626709 0.31 545.9650879 0.07 547.4942627 0.21 548.1883545 0.11 550.0473022 0.10 553.2622681 2.21 554.3052368 0.02 557.1798096 0.25 559.0863647 100.00 559.9406128 1.91 560.6452026 0.21 562.4088135 0.16 566.2393799 0.07 567.1801147 0.18 571.1897583 6.15 572.2239990 0.47 573.6904297 0.12 579.4264526 0.19 580.4518433 0.26 589.7896118 0.13 590.6525269 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 936.6637 Annotation Unknow Peak:m/z Relative Intensity 304.3784180 0.66 315.0474243 0.50 319.8608093 1.96 324.3096619 3.03 325.1970825 0.40 345.2572632 0.79 349.3573608 0.36 354.4768982 2.09 372.0771484 4.12 407.2763672 2.34 420.1635742 0.83 421.1644897 2.42 422.9542236 0.60 444.1977539 1.72 452.4125977 0.65 453.5383301 0.52 484.0148926 0.45 495.1185303 0.69 524.1829834 4.30 529.3917236 0.45 537.5069580 2.95 545.7971191 4.87 567.2028809 1.56 578.4142456 2.32 593.7985840 1.51 630.0548706 11.46 636.1124268 1.64 639.8882446 0.57 676.5176392 2.05 707.3937988 1.26 710.2423706 2.31 712.6234741 3.15 714.5096436 3.99 715.6883545 5.27 740.5699463 2.51 741.7387085 1.04 777.6788940 1.34 801.4172974 4.61 804.9324341 6.66 821.6264038 0.44 833.5300903 1.22 837.6124268 10.24 839.5604858 5.39 840.7206421 1.36 844.7351685 4.21 845.6339722 7.30 846.3718872 9.04 848.9244385 5.20 853.5836792 1.43 855.1159058 7.87 855.8219604 1.95 857.8331909 0.36 861.7379761 1.26 865.0311279 9.88 867.9170532 3.81 868.9401245 1.68 870.3145142 7.90 872.3218384 20.53 873.0444336 0.87 874.5007935 7.31 876.7042236 7.54 877.5072021 1.49 880.1754150 14.20 881.0285645 3.18 881.9078979 23.88 882.5199585 8.24 883.8731079 11.65 884.7603149 8.41 886.4633179 15.31 887.2311401 4.79 889.0964355 8.61 890.4138794 4.41 892.1562500 10.71 893.1139526 9.19 893.7450562 9.72 894.7390747 7.34 896.2462769 26.65 896.9399414 20.08 897.8378906 6.47 898.6185913 4.68 899.8372803 1.32 900.5487061 27.98 901.3285522 40.76 902.4927979 1.40 904.4905396 34.77 905.3044434 61.15 906.0690918 0.53 907.2783203 8.76 908.4083862 68.03 909.5074463 62.92 910.9552612 28.71 912.3666992 26.49 913.0912476 16.54 915.9736328 11.27 917.0773315 6.63 918.0263062 2.99 919.2284546 15.51 919.8453979 25.00 921.8186646 39.00 922.7850952 19.57 923.6372681 21.77 924.3894653 25.24 925.2263794 7.50 926.0070190 68.21 927.0949097 23.94 928.4264526 30.89 929.2365112 0.48 930.3112183 1.12 932.0878296 3.32 937.6235962 2.70 949.1915894 1.49 954.4597778 14.29 964.7855835 8.13 969.9309082 3.04 974.4183960 1.31 981.2294922 1.24 992.1262817 2.81 995.8898315 3.24 1003.9057010 11.22 1008.0700070 11.41 1011.3815920 2.29 1020.2190550 3.30 1025.0107420 1.32 1026.5051270 1.97 1029.6361080 2.94 1034.5529790 1.84 1044.2751460 1.85 1048.8128660 6.04 1050.0769040 3.72 1055.5100100 3.23 1057.5273440 5.15 1065.6651610 2.46 1067.9532470 6.27 1069.3135990 2.05 1071.7236330 7.39 1072.9754640 3.48 1074.0488280 2.00 1074.6730960 2.37 1075.9382320 4.92 1076.9614260 1.39 1078.8483890 10.07 1079.7812500 13.12 1080.9948730 4.67 1083.2497560 5.11 1084.4417720 1.89 1087.7208250 11.33 1089.0009770 3.45 1089.7496340 4.55 1093.0717770 6.48 1093.7963870 3.87 1094.4047850 7.95 1096.1364750 7.38 1099.3078610 16.38 1100.8873290 2.87 1102.4187010 5.00 1103.2011720 6.61 1105.6713870 7.78 1106.5522460 7.86 1108.4693600 2.49 1109.1394040 2.94 1110.8435060 0.65 1112.1917720 3.81 1113.0709230 3.74 1113.9104000 7.11 1115.6179200 1.39 1117.0577390 3.57 1118.0488280 8.30 1121.6145020 1.43 1122.5323490 5.47 1123.9471440 4.99 1125.6235350 6.74 1127.7327880 5.11 1129.7562260 19.51 1130.7392580 10.45 1131.6032710 12.52 1132.3430180 0.23 1133.2854000 24.89 1134.2146000 10.99 1135.3396000 7.98 1136.0395510 11.42 1137.4130860 7.10 1138.1727290 16.71 1139.1303710 11.25 1141.2722170 12.51 1142.0388180 12.72 1144.0897220 1.84 1145.4206540 9.02 1146.2287600 4.71 1147.2331540 7.72 1149.0853270 3.12 1149.8879390 2.04 1151.3649900 7.83 1152.5285640 46.41 1154.7667240 11.62 1155.5748290 13.70 1157.0994870 10.41 1158.4765620 4.55 1159.2875980 4.56 1161.5692140 19.78 1162.5383300 19.75 1163.6937260 8.73 1165.1684570 11.43 1165.8586430 28.52 1166.6445310 3.16 1167.2869870 12.60 1168.3596190 26.75 1169.3825680 10.27 1170.1147460 0.34 1171.3632810 17.68 1172.4453120 10.94 1173.4995120 9.48 1175.8295900 11.95 1178.6534420 29.60 1180.1607670 9.38 1181.1462400 7.05 1182.0747070 25.21 1183.3354490 5.96 1185.9431150 12.23 1188.6867680 11.63 1190.0570070 4.67 1191.2386470 9.16 1191.9328610 2.43 1192.7697750 10.22 1194.7095950 23.94 1195.7668460 19.78 1196.6951900 5.54 1197.9619140 38.09 1198.7030030 6.17 1199.5837400 6.01 1200.6693120 100.00 1201.7264400 37.16 1202.3476560 2.44 1203.1470950 0.42 1205.0935060 8.82 1206.1856690 22.62 1207.1127930 26.94 1207.9871830 8.15 1211.1269530 45.14 1211.8908690 52.96 1212.7025150 11.40 1214.4960940 3.43 1216.8065190 36.63 1217.4998780 28.56 1218.4160160 5.34 1220.7507320 3.15 1221.6439210 2.68 1224.7829590 0.74 1226.7712400 3.10 1229.8098140 1.63 1231.2280270 1.49 1234.2830810 2.57 1239.1047360 1.03 1243.7478030 6.75 1245.2639160 3.10 1255.0656740 2.96 1261.6751710 3.32 1287.2044680 5.50 1291.8421630 2.04 1293.9769290 2.80 1305.5054930 4.78 1314.1257320 2.05 1323.8673100 3.15 1337.3529050 2.45 1338.5206300 3.26 1346.1397710 2.58 1362.1558840 5.83 1381.0681150 2.72 1388.1287840 2.77 1393.4537350 4.60 1400.9982910 1.45 1406.4986570 2.89 1439.8875730 2.04 1444.5896000 8.42 1445.8914790 2.63 1453.4237060 4.45 1454.2424320 3.44 1456.5310060 1.76 1483.3427730 2.06 1522.7977290 6.19 1537.8917240 4.97 1553.9892580 1.73 1572.3195800 0.92 1581.7108150 0.52 1586.4908450 2.26 1591.2423100 3.92 1614.4084470 6.60 1616.9914550 0.65 1617.9182130 4.89 1619.0363770 1.46 1635.8878170 3.25 1645.9896240 0.64 1662.1722410 3.05 1669.0340580 1.23 1683.3780520 1.20 1751.1431880 3.72 1872.9559330 0.78 1902.6956790 0.44 1934.9349370 1.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 551.1831 Annotation Unknow Peak:m/z Relative Intensity 159.1506958 0.09 182.8968506 0.03 190.9961090 0.06 203.1410828 0.02 209.0184174 100.00 247.1502686 0.05 277.1088257 0.02 293.1469116 0.04 296.8091736 0.03 300.0321045 0.07 301.8914795 0.02 323.1794434 0.07 324.1379395 0.24 327.1726685 0.04 333.2175903 0.10 337.0355225 0.24 340.2342529 0.15 341.2292480 0.85 346.2599487 0.02 352.1306763 0.05 377.1095581 0.03 414.2438965 0.03 423.0004883 0.15 433.6963501 0.02 458.2956543 0.06 461.5769043 0.02 463.3227539 0.13 475.0944824 0.23 489.2342529 0.06 504.4412231 0.07 505.0556030 0.12 509.7373047 0.08 514.7401733 0.16 533.1502075 0.46 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 757.388 Annotation Unknow Peak:m/z Relative Intensity 220.8838196 0.04 234.7741547 0.05 245.1067047 0.09 251.2335663 0.07 263.2844238 0.04 271.2582092 1.84 272.1559448 0.06 283.5936584 0.05 285.4081421 0.28 305.2572327 0.04 307.7764282 0.04 313.5766602 0.14 333.4547729 0.03 337.2688904 0.02 349.4565430 0.19 351.4749756 0.27 361.2470703 0.07 379.2400513 0.22 415.3819580 2.38 416.0066528 0.01 433.3793945 9.09 434.2937622 0.13 447.7575073 0.12 457.5530396 0.32 459.2899170 0.08 469.6744385 0.08 475.2623291 0.28 476.4784546 0.13 481.6365967 0.13 497.5300903 0.10 511.5658569 0.03 517.5217285 0.07 529.4977417 0.11 547.1936646 0.02 559.4336548 1.79 577.5420532 19.95 578.5432739 0.76 595.4285278 100.00 596.4094238 3.71 600.9912720 0.03 619.5245972 0.49 635.4216919 0.06 637.5853271 0.50 649.6564941 0.03 651.3732300 0.25 661.2980347 0.04 677.3677368 0.64 703.6804810 0.05 721.4470825 1.89 728.7240601 0.03 739.4613647 48.15 740.4328613 2.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 78.90900421 1.24 86.04782867 1.34 90.88272095 0.23 94.66386414 0.40 97.88009644 0.76 102.9493256 3.13 103.8501129 0.72 105.7818298 2.30 106.943161 2.89 109.0241394 0.30 109.9223785 0.39 113.2127686 0.29 120.3514404 0.88 124.1193695 0.33 127.0326538 1.16 129.0142212 12.82 129.8990021 4.59 132.9246368 0.42 139.1060181 1.03 139.9760895 0.57 140.822937 0.80 141.8401489 3.37 143.915329 0.33 146.0846252 1.01 147.0775299 0.65 148.0778198 0.27 151.0417938 58.88 151.9611359 48.37 152.8369904 3.06 155.199234 1.19 157.9407043 2.60 160.0062866 0.48 161.2008667 1.25 162.0713348 0.82 167.1440582 6.92 167.9278717 1.73 169.0839386 3.98 170.1079865 2.63 171.0585938 0.79 172.2343597 0.69 176.1825256 0.79 177.03685 0.23 179.1042175 2.30 180.171875 2.31 181.0351105 0.36 183.2010193 3.13 184.9815826 1.19 186.034256 3.19 186.9968109 0.78 191.3095398 1.26 195.0910187 2.05 197.3838959 3.98 198.1127777 2.22 208.1645966 6.78 209.1626129 1.85 210.2090607 0.33 212.6396942 1.00 218.1428528 9.74 219.0387726 0.79 223.075943 2.00 225.1243134 3.94 226.1564484 15.63 230.9285126 0.49 235.936203 26.39 236.9651947 4.01 237.9386139 3.60 239.062912 24.10 239.8999023 2.28 253.088089 100.00 254.1667023 98.63 255.2703857 2.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1406.5757 Annotation Unknow Peak:m/z Relative Intensity 417.0333862 0.20 677.4440918 0.20 779.6909790 0.15 907.6871338 0.14 910.7475586 0.14 967.1894531 0.24 969.4467773 0.75 978.4715576 0.21 997.4927979 14.79 998.5400391 39.25 999.6923828 3.74 1099.5090330 12.98 1100.6729740 3.78 1101.6625980 0.25 1111.8028560 0.86 1156.6586910 0.35 1173.7275390 19.51 1174.5125730 50.84 1175.5239260 4.60 1202.3399660 0.12 1242.4025880 0.28 1268.0917970 0.22 1277.4069820 0.37 1285.4221190 2.99 1286.4114990 20.72 1287.4571530 4.32 1304.4958500 0.53 1312.3425290 0.06 1317.5245360 0.47 1318.5217290 0.54 1320.1770020 2.20 1328.5567630 8.73 1329.5324710 100.00 1330.4587400 17.41 1331.2890620 0.19 1337.2495120 0.52 1345.5806880 0.18 1355.6077880 10.86 1356.5739750 1.76 1363.4847410 65.63 1364.4572750 15.34 1365.0865480 0.05 1373.3924560 2.50 1374.7180180 0.18 1389.3986820 3.01 1390.5654300 1.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1043.38 Annotation Unknow Peak:m/z Relative Intensity 304.3603516 0.45 315.6291504 0.16 322.3494873 0.23 337.0569153 0.20 339.2471924 0.20 343.2844543 0.78 344.0930176 0.30 361.3027954 2.70 377.5318298 0.51 378.6352844 0.29 389.4300842 1.44 390.3723145 0.45 396.0706177 0.40 406.2961731 0.20 409.1892395 1.85 411.0061035 0.28 412.0885925 0.42 418.0720825 1.10 432.1630859 0.66 432.8655701 0.41 450.4993286 0.87 453.1561890 0.30 456.9350281 0.28 458.2153931 0.61 463.2606812 0.66 464.2313538 0.17 479.1963806 0.25 504.4233398 0.23 512.1096191 0.37 513.5681152 0.18 515.0976562 0.60 515.7794189 0.12 516.5663452 0.43 521.2624512 0.24 524.4989624 1.10 527.1346436 0.34 534.2471313 0.26 542.3124390 0.31 559.5545654 0.52 565.1882935 0.51 567.2707520 0.55 576.2552490 0.28 584.5278320 0.14 599.5281982 0.28 605.3388672 0.91 608.3661499 0.41 609.2897949 0.26 613.8747559 0.59 619.0784912 0.49 622.5827026 0.66 627.1387939 0.42 628.3402100 2.12 635.5395508 0.22 662.3960571 0.33 667.2478027 0.90 669.2750854 0.42 673.3338013 0.52 691.4619141 1.26 693.5466309 0.33 705.5374756 0.69 709.2642822 1.05 726.4672852 0.75 731.8569946 0.16 733.3370361 0.92 736.7576904 0.09 737.9238281 0.29 746.1176758 0.63 753.0120850 1.96 757.4487305 0.73 766.2186279 0.14 767.5895996 1.09 769.4169922 0.57 776.4409180 0.54 779.8718262 1.17 787.8764648 1.47 801.0407715 0.35 805.3065186 0.87 808.2237549 1.14 811.2978516 0.16 813.9273682 1.05 816.8060303 0.87 819.6510010 1.65 831.5546875 0.24 832.4637451 0.26 833.3558350 0.23 836.2205811 0.94 838.8923340 0.42 846.1365967 0.48 854.0695801 1.03 864.4311523 0.45 865.5891113 2.78 878.1434326 1.18 879.1594238 2.40 883.4703369 0.73 886.8404541 0.62 888.2893066 1.85 891.1292725 1.81 893.7025146 0.23 901.0759277 0.23 902.3988037 0.54 904.5035400 0.88 905.8653564 0.46 907.0904541 2.08 908.2695312 1.03 910.2713623 0.64 911.8979492 0.98 913.9050293 0.69 916.1462402 0.97 916.9946289 0.71 919.1385498 0.15 920.2982178 3.57 922.1182861 1.84 925.2310791 1.67 926.2519531 1.26 926.8768311 1.47 927.7783203 0.70 929.2530518 1.16 932.0039062 2.26 932.8092041 0.18 933.4885254 1.29 935.4783936 1.46 936.7091064 3.41 937.6561279 2.25 939.9683838 1.58 941.0552979 2.81 941.9945068 4.87 942.8349609 4.87 945.8129883 2.71 946.5605469 4.34 947.4941406 2.46 948.2537842 1.97 950.6751709 0.90 952.4262695 6.52 953.5895996 1.71 954.4906006 2.32 955.4494629 1.50 956.2105713 6.38 958.2388916 5.40 960.1489258 2.52 960.8220215 2.48 962.3391113 9.44 963.5744629 8.11 964.3128662 16.34 965.1130371 0.58 966.4100342 5.42 967.8535156 4.00 968.7409668 3.12 970.1165771 12.78 971.2044678 3.21 972.3381348 3.08 973.8349609 11.53 974.8496094 6.60 977.1469727 12.27 977.7966309 1.61 978.5339355 5.41 979.6262207 10.10 980.6711426 7.63 981.9627686 6.63 982.8554688 4.71 983.5307617 8.94 984.6323242 2.22 986.3944092 17.35 987.2762451 16.10 988.0249023 1.41 989.2474365 50.30 989.9235840 8.38 991.5625000 6.58 992.3087158 1.40 993.3786621 7.04 994.4996338 3.66 995.2419434 8.37 996.1245117 8.27 997.2941895 4.29 999.0419922 8.81 999.7825928 2.10 1000.9456790 2.24 1002.2706300 2.06 1003.4184570 13.77 1004.3413090 0.99 1005.3696290 10.06 1006.4501950 19.38 1007.6865230 2.53 1009.1303710 36.71 1010.0869140 6.99 1012.2734380 30.37 1012.8923340 36.19 1014.0976560 4.19 1014.8935550 4.89 1015.7351070 8.01 1016.7116700 8.26 1017.8718260 15.37 1018.4879150 100.00 1019.7780760 9.79 1020.6580810 1.72 1021.4827880 7.35 1022.8232420 15.80 1024.6516110 11.61 1025.8249510 9.07 1026.7241210 1.73 1027.7851560 19.00 1028.4255370 62.33 1029.2481690 2.82 1030.4257810 2.10 1031.5749510 41.24 1032.2720950 5.64 1033.7697750 8.97 1034.4858400 5.43 1056.5524900 1.25 1058.7419430 0.33 1059.7133790 0.70 1062.8818360 0.69 1063.7556150 1.13 1066.7673340 0.31 1070.3824460 0.67 1072.6236570 0.52 1076.7188720 0.45 1081.5744630 0.60 1085.1638180 0.94 1089.7480470 0.32 1091.6833500 1.33 1096.4377440 0.51 1099.5430910 0.73 1101.3417970 0.46 1104.8605960 1.12 1106.7673340 1.39 1107.7338870 1.44 1109.0103760 0.95 1109.8264160 2.24 1110.6357420 0.59 1116.6660160 0.67 1126.3955080 1.75 1134.6042480 0.80 1135.6250000 1.24 1137.5562740 1.27 1140.5048830 0.39 1141.6392820 1.08 1142.5166020 0.85 1143.5773930 0.42 1145.0278320 2.80 1145.9079590 0.55 1146.8203120 0.48 1148.1251220 2.13 1149.3377690 0.94 1156.6188960 1.02 1158.4367680 1.50 1159.3878170 0.64 1162.0455320 1.20 1164.4028320 0.23 1165.4426270 1.12 1166.5815430 0.51 1167.6119380 0.70 1169.5788570 2.16 1172.1564940 0.44 1172.7705080 0.71 1173.5695800 0.21 1176.1987300 0.73 1178.5802000 1.11 1180.7479250 0.88 1185.0444340 0.31 1185.6666260 1.14 1187.7165530 0.38 1188.8630370 1.48 1189.5947270 3.55 1190.9438480 1.62 1192.7861330 1.77 1194.8405760 1.97 1195.8853760 2.35 1196.9079590 0.53 1197.8142090 1.16 1198.9721680 0.71 1199.9910890 1.66 1200.7497560 2.41 1201.7294920 1.08 1203.8908690 1.78 1208.4304200 1.22 1213.5288090 0.98 1215.5454100 0.18 1216.9301760 1.64 1219.5877690 1.33 1222.7580570 0.97 1223.4747310 0.40 1225.4484860 0.85 1226.6052250 0.76 1229.0656740 0.30 1232.3937990 0.81 1233.6561280 2.43 1238.9865720 0.77 1240.2340090 1.19 1241.6033940 0.56 1251.4697270 6.32 1252.6585690 2.45 1254.0502930 2.45 1256.4963380 2.12 1258.0773930 0.69 1258.9975590 0.99 1260.5668950 1.17 1261.3702390 3.86 1262.5303960 5.13 1263.8137210 3.55 1264.9541020 5.12 1266.0061040 2.05 1268.3063960 2.22 1269.6601560 0.42 1270.9350590 1.60 1271.5581050 1.21 1272.9508060 2.49 1274.1417240 0.31 1276.5009770 6.30 1277.5808110 0.12 1278.9621580 0.85 1279.9160160 1.19 1281.2685550 0.93 1283.1640620 1.16 1284.1948240 1.64 1285.1550290 2.63 1285.9168700 3.20 1287.2872310 2.28 1289.2695310 5.82 1293.8587650 4.02 1295.7111820 1.22 1296.7553710 2.60 1298.3994140 5.20 1299.0307620 3.40 1300.0384520 0.82 1301.2076420 0.13 1302.4956050 2.03 1304.8760990 2.14 1306.1173100 1.12 1307.5235600 0.98 1309.2518310 0.28 1309.8782960 0.39 1312.5887450 0.67 1313.6553960 2.08 1316.3255620 1.60 1316.9375000 3.44 1317.8685300 2.22 1318.6524660 1.29 1321.6696780 0.33 1322.5744630 1.33 1323.1983640 2.53 1324.1518550 1.93 1325.3642580 3.98 1326.3714600 3.60 1327.0479740 3.00 1327.7690430 1.73 1329.0197750 1.07 1332.8294680 2.49 1333.6086430 0.89 1334.6644290 1.06 1335.6335450 1.45 1337.4155270 4.07 1338.1254880 0.33 1338.8208010 0.44 1339.6195070 1.67 1342.3364260 2.97 1344.0516360 0.67 1345.3264160 1.19 1346.1842040 2.48 1347.2263180 1.10 1348.0177000 1.04 1350.1870120 2.49 1352.9190670 6.51 1353.9880370 0.91 1355.6802980 1.49 1356.5367430 2.61 1357.5479740 1.44 1358.4373780 0.87 1359.3773190 0.63 1360.2498780 0.48 1361.3482670 4.89 1361.9910890 2.25 1364.2192380 1.42 1367.5062260 1.62 1368.7886960 0.70 1370.3652340 22.46 1371.1546630 10.31 1372.5523680 5.78 1373.2723390 0.12 1376.0301510 2.25 1377.0264890 4.11 1377.8192140 4.21 1379.9569090 1.21 1381.7292480 3.37 1383.9174800 0.27 1384.7529300 1.20 1385.7188720 3.42 1387.2263180 2.69 1388.3658450 1.16 1389.8594970 9.86 1390.7403560 0.89 1391.6071780 2.37 1392.7987060 1.01 1393.4351810 1.60 1394.0987550 3.88 1395.1373290 1.94 1396.1671140 3.22 1398.9576420 8.75 1399.7972410 1.23 1401.4710690 0.17 1402.1226810 3.16 1402.9609380 1.54 1403.8262940 0.80 1404.9603270 2.56 1405.7781980 0.44 1406.7276610 2.44 1407.5101320 1.51 1408.8413090 2.78 1409.4831540 1.83 1410.4826660 2.51 1411.1295170 0.84 1412.6627200 0.67 1413.5795900 2.36 1414.4418950 3.19 1417.0367430 1.35 1417.9342040 2.87 1418.9403080 6.03 1419.6363530 2.95 1420.7369380 1.90 1421.7515870 0.45 1423.7451170 4.18 1424.6859130 0.87 1427.7496340 30.00 1428.6707760 8.10 1430.0018310 4.00 1431.4881590 3.32 1432.7159420 3.34 1433.6171880 4.37 1437.2740480 4.27 1438.0153810 0.25 1439.2735600 0.79 1439.8988040 1.16 1440.8223880 3.08 1441.5408940 0.42 1443.0041500 5.14 1443.7890620 3.04 1445.4471440 10.90 1446.1557620 8.45 1449.4431150 4.59 1450.4034420 3.04 1451.8651120 11.85 1452.6977540 6.20 1453.6539310 0.73 1454.4652100 3.51 1455.1285400 2.45 1457.2342530 5.59 1458.1326900 0.87 1458.9649660 3.67 1459.8267820 1.58 1460.5250240 1.87 1461.2263180 2.18 1462.3765870 0.97 1463.3697510 5.20 1464.6341550 1.67 1465.7053220 2.71 1468.5196530 3.51 1470.0106200 2.26 1471.4085690 3.95 1472.2554930 1.58 1473.0423580 0.88 1473.9553220 7.43 1474.7554930 3.19 1475.3607180 0.85 1477.2674560 3.87 1478.4600830 2.24 1480.3533940 14.90 1481.1781010 6.00 1482.9288330 21.18 1483.7286380 6.36 1485.1999510 2.66 1486.2146000 0.95 1487.4749760 4.36 1488.5646970 3.40 1490.6909180 4.58 1492.0263670 7.72 1493.0671390 1.07 1493.8782960 4.01 1495.1180420 0.32 1499.0579830 0.26 1499.8538820 8.18 1500.7966310 6.01 1507.6531980 2.55 1508.6159670 0.38 1511.2059330 0.19 1512.0546880 0.86 1515.7850340 8.12 1516.8026120 5.91 1521.1522220 0.74 1523.9127200 0.38 1526.3402100 0.94 1527.2658690 0.74 1533.5286870 0.42 1534.7895510 1.07 1546.4825440 0.18 1565.5604250 0.64 1607.8669430 0.25 1609.0179440 0.26 1619.5408940 0.69 1646.9094240 0.26 1671.8675540 1.00 1693.9659420 0.51 1707.8737790 0.13 1729.7999270 0.26 1738.3834230 0.87 1759.5994870 0.23 1777.6322020 0.77 1809.8278810 0.52 1833.8094480 0.23 1875.1011960 0.75 1894.6809080 0.48 1904.5726320 0.51 1910.7248540 0.37 1916.1066890 0.34 1969.8518070 0.17 1987.9382320 0.62 1996.2164310 0.97 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 611.3279 Annotation 1-(beta-D-Glucopyranosyloxy)-3-octanone Peak:m/z Relative Intensity 217.1842499 0.08 221.2494202 0.10 223.3499451 0.04 226.9928894 0.15 229.3364563 0.17 241.0179749 0.08 269.3365173 0.17 283.1202393 0.04 321.1448975 0.03 323.3930054 0.16 347.5105591 0.14 371.5748901 0.12 383.2843018 0.29 387.2852173 0.53 389.3428345 30.67 403.2831421 0.42 413.2988892 0.37 425.3712158 0.08 427.4550171 0.08 431.3626099 1.40 435.4445190 0.38 449.4279175 4.70 451.3888550 0.09 454.7812500 0.23 455.5361938 0.19 467.0003052 0.12 468.2542725 0.07 485.6882324 0.04 487.7130737 0.03 489.3410645 0.30 491.6972656 0.34 502.9761353 0.04 515.1973877 0.13 517.6010742 0.04 520.9058228 0.14 530.3198853 0.10 531.5153809 0.16 533.4262695 1.56 535.6430054 0.06 537.2218628 0.14 544.6112671 0.15 549.4174194 0.44 551.4638062 31.45 563.3833618 0.07 565.4226685 0.38 566.8026123 0.18 567.4187012 0.11 575.5092163 3.53 586.3619995 0.33 593.3906860 100.00 594.0165405 0.31 594.7058105 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 919.442 Annotation Unknow Peak:m/z Relative Intensity 263.3270569 0.03 271.3253479 1.17 283.5458984 0.03 285.3531494 0.09 287.2087402 0.02 293.1979675 0.01 307.4002380 0.02 313.3034058 0.31 314.3812866 0.02 335.5038757 0.02 337.3546143 0.27 341.2995911 0.02 359.3731689 0.01 361.4756775 0.06 379.4002991 0.33 399.4873047 0.09 415.3507080 0.51 433.3983154 0.33 439.3800049 0.10 447.6344604 0.09 467.3472900 0.24 475.4492188 0.55 517.2373657 0.05 541.5595703 0.09 559.4621582 0.40 561.3087769 0.28 562.1335449 0.10 577.5167847 4.49 595.4541626 7.10 607.6245728 0.04 619.3472290 0.42 637.5155640 0.15 651.6478271 0.06 679.6622925 0.06 703.4880371 0.14 709.7103271 0.03 721.4143677 1.75 722.0437622 0.04 739.5567627 27.66 740.4946899 0.09 742.3581543 0.03 757.4293823 100.00 758.3434448 1.53 771.3151245 0.15 781.3435669 0.44 781.9916382 0.06 797.3458862 0.06 799.4519653 0.88 827.5143433 0.05 865.6705322 0.04 883.4240112 0.57 885.4723511 0.04 886.5924683 0.04 901.4596558 18.92 902.3661499 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 669.1675 Annotation Limocitrin 3,7-diglucoside Peak:m/z Relative Intensity 207.2727966 0.04 209.0671844 0.07 215.0639038 0.16 215.7749939 0.03 219.1439209 0.01 222.2186890 0.01 230.0836182 0.03 231.0639801 0.11 231.9987793 0.01 239.3837128 0.01 241.0282288 0.32 241.9772339 0.02 243.1983337 0.33 244.3430786 0.14 245.1077881 0.02 249.0063324 0.05 256.4194946 0.05 257.1024780 0.02 258.7090759 0.62 259.3480835 0.43 260.2340088 0.04 269.0794678 0.13 270.2262878 0.06 271.0857849 0.18 273.0740662 0.46 274.2306213 0.16 283.0186768 0.01 284.1939087 0.13 285.2030334 0.37 286.1560669 0.95 287.1030884 14.19 288.1204224 3.06 289.1324158 0.06 297.0565186 0.01 301.0729370 2.92 302.1287231 8.81 303.2221680 1.87 311.1524658 0.03 312.1116943 0.02 313.0402832 0.04 315.1122742 0.67 316.1986694 0.09 317.2300720 0.11 323.0352173 0.08 327.4398804 0.05 329.1485596 0.46 330.1163940 26.47 331.1168518 4.41 342.5759277 0.03 343.1769409 0.17 345.1090698 100.00 346.2064209 19.63 351.7566528 0.07 354.8651123 0.01 357.1320190 0.06 358.1606445 0.03 359.3148804 0.14 372.2808838 0.10 387.0836182 0.36 388.0856323 0.11 402.1413574 0.02 430.4918213 0.01 455.1868286 0.01 489.1378174 0.08 492.1476440 0.01 493.2018433 0.01 507.2758789 0.24 508.4259644 0.04 547.9987183 0.02 554.7036133 0.10 608.4052124 0.04 611.8439331 0.02 624.1018066 0.15 625.0871582 0.03 628.4894409 0.03 642.6865845 0.03 654.2313232 0.78 655.2701416 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1117.5083 Annotation Achyranthoside D Peak:m/z Relative Intensity 382.3347473 0.09 439.4262390 0.52 455.2993164 0.34 483.5177002 0.29 501.4053650 1.66 502.5111694 0.27 511.3959045 0.10 525.5666504 0.09 543.4978027 0.77 545.3245850 0.11 555.4107666 0.62 604.5551147 0.36 677.4582520 0.92 678.3793335 0.24 763.4287109 0.16 779.8427734 0.15 793.5626831 0.29 804.6783447 0.11 821.5469971 0.41 822.5325928 0.63 889.5417480 0.27 923.7464600 0.40 938.6474609 0.10 941.5240479 100.00 942.6031494 47.26 954.3211670 0.10 955.5989990 0.47 956.5529785 0.13 957.6560059 0.08 983.6511230 0.11 984.2840576 0.15 985.5729980 0.16 986.2888184 0.25 987.5988770 0.26 997.4279785 0.17 1016.4472660 0.10 1029.6594240 0.15 1037.8068850 0.28 1055.6733400 0.62 1056.7917480 0.19 1073.8565670 0.05 1075.0345460 0.15 1085.8056640 0.31 1099.4868160 1.04 1100.5528560 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1111.4767 Annotation Unknow Peak:m/z Relative Intensity 355.3674316 0.06 369.2344971 0.61 370.3373413 0.13 383.2810364 0.32 384.3243713 0.25 386.6035156 0.04 387.2583618 0.06 398.0551758 0.56 401.3847351 0.93 418.0192566 0.58 419.9521790 0.34 427.0846252 1.27 438.1312256 0.09 441.4471436 0.80 447.3979187 0.42 454.4255066 0.20 455.4749451 0.56 469.1514893 0.64 472.3556519 0.46 473.8388977 0.22 481.6232605 0.36 487.5413208 0.15 490.4548950 0.52 491.6671143 0.14 496.2084351 0.55 500.1241150 0.82 505.0954285 4.80 512.4850464 0.36 527.5046387 0.13 533.2431641 0.41 538.2956543 0.09 539.8806152 0.53 540.5678711 0.82 545.9556885 0.10 548.5596924 0.29 554.6594238 3.70 555.4383545 0.21 557.4124756 0.10 560.3709717 0.03 572.6899414 0.05 579.3159180 0.65 581.1821289 0.24 583.6569824 0.51 587.4399414 0.57 596.5838623 0.10 603.0876465 0.93 606.1671753 0.23 609.5557861 0.20 610.5740967 0.07 612.0678101 12.43 612.8690186 0.41 619.1245117 0.11 623.2462158 0.18 630.4768677 0.33 636.8541260 0.34 642.8122559 0.04 653.8336182 0.08 654.7826538 0.09 656.7881470 0.46 666.3942261 0.19 677.6920166 0.26 681.3912964 0.25 682.4262085 0.18 683.6802979 0.41 684.2930298 0.07 685.2083130 0.07 691.1060791 0.32 695.2816162 0.05 701.6533203 0.18 703.5404663 0.11 704.3806152 0.07 706.1923218 0.32 708.6239624 0.76 709.4860229 0.19 710.7762451 0.04 711.4313965 0.18 712.7162476 0.09 720.4490967 0.10 728.7956543 0.08 738.0386963 0.49 739.6455688 0.32 745.3416138 0.16 746.0281372 0.72 753.7641602 0.09 754.4843140 1.34 755.3753662 0.68 758.8179321 0.38 763.3837891 0.23 773.1087646 1.13 783.6199951 2.52 784.6018677 0.36 794.6657104 0.16 795.4494019 0.18 797.7942505 0.08 801.6015625 0.26 805.5997925 0.32 812.0140381 5.05 813.6418457 0.44 814.2687988 0.86 815.1273193 0.13 816.4029541 0.40 819.1112061 0.10 820.7697754 0.09 837.6392822 0.12 838.2926025 0.16 840.5524902 0.43 843.5758057 0.13 845.3850098 0.06 849.7603760 0.19 850.6108398 0.21 852.7545166 0.19 854.0147705 0.85 858.7445068 0.80 865.6527100 0.52 872.9117432 0.12 874.6009521 0.16 877.9064941 0.13 880.7689209 2.28 881.7166748 0.11 893.7460938 0.35 894.4921875 0.15 895.6423340 0.24 898.8684082 0.41 901.4218750 0.10 908.5084229 0.14 910.0375977 0.19 911.0076904 0.46 911.8122559 1.30 912.8955078 0.54 914.5457764 0.67 916.0485840 1.12 916.7078857 0.25 923.3536377 0.19 924.0615234 0.19 928.9024658 0.05 937.9488525 0.09 947.4534912 0.38 965.7022705 0.16 966.5571289 0.12 967.6461182 0.14 973.9619141 0.18 979.6228027 0.87 980.6228027 0.46 981.3137207 1.13 990.7834473 0.45 991.8475342 0.63 992.6455078 0.52 993.8803711 0.68 994.7253418 0.05 1008.7526860 4.38 1009.4725340 1.80 1013.9384770 0.31 1016.6911620 0.44 1021.6903080 0.36 1024.4311520 0.38 1027.4487300 0.29 1029.0913090 0.34 1030.1066890 0.12 1031.3298340 0.09 1031.9771730 1.09 1037.7839360 0.76 1045.7038570 0.88 1048.3414310 0.40 1059.2844240 0.03 1062.5400390 1.12 1063.6365970 1.29 1065.7133790 0.80 1068.7902830 2.42 1075.6999510 0.27 1076.5811770 0.28 1077.5302730 1.19 1078.4069820 2.27 1079.7229000 8.42 1080.3682860 0.20 1081.7808840 1.75 1083.2750240 14.27 1084.2468260 0.18 1085.1868900 11.01 1086.0643310 0.32 1086.7476810 0.21 1087.5715330 0.05 1088.8076170 12.19 1089.6083980 0.29 1090.8491210 0.81 1092.4738770 3.83 1094.0380860 0.71 1095.0942380 0.19 1123.5834960 0.87 1124.2119140 0.08 1126.1293950 0.89 1128.0717770 0.25 1128.7790530 0.50 1142.1730960 1.13 1153.9079590 1.22 1156.9763180 0.04 1158.9846190 0.27 1160.2436520 0.47 1163.4351810 0.09 1165.7757570 1.95 1166.8099370 0.89 1175.2110600 0.49 1189.7648930 0.47 1193.2653810 0.14 1196.3154300 0.04 1199.2314450 2.38 1199.9401860 0.07 1210.3649900 0.51 1211.9930420 0.52 1221.7150880 0.10 1222.7336430 0.81 1223.6296390 0.88 1226.4543460 1.05 1229.0679930 0.42 1230.0548100 0.61 1237.2658690 0.37 1242.2644040 0.82 1256.8441160 0.85 1257.6206050 0.26 1258.3288570 0.58 1260.1120610 2.60 1261.4116210 1.31 1265.5850830 0.15 1272.5340580 0.23 1278.9963380 0.54 1280.4865720 0.23 1281.6030270 2.67 1284.0668950 0.05 1286.1547850 2.91 1288.3819580 0.53 1289.3422850 0.57 1292.9499510 0.86 1293.6616210 2.41 1297.0957030 1.22 1297.8330080 0.96 1299.6315920 0.41 1302.3405760 5.94 1303.9780270 5.64 1305.7576900 2.26 1307.0302730 1.94 1308.1303710 0.69 1309.6467290 0.88 1311.6572270 16.97 1312.3594970 0.53 1313.6459960 2.48 1314.5155030 0.41 1317.6812740 3.72 1318.3142090 12.88 1319.0415040 0.47 1322.1400150 0.37 1322.9495850 0.19 1324.4146730 3.11 1328.8751220 12.84 1331.9693600 1.45 1333.0115970 2.56 1336.3192140 2.33 1338.1451420 1.31 1340.8282470 0.26 1343.0572510 5.41 1343.8886720 0.18 1349.9144290 1.41 1351.2669680 0.16 1352.4121090 0.31 1353.4814450 1.79 1354.1171880 0.36 1356.3129880 15.27 1357.0581050 1.04 1360.7315670 86.49 1361.5983890 2.83 1362.9305420 0.87 1363.9868160 0.36 1365.1147460 1.62 1366.7213130 0.39 1375.5706790 0.19 1379.8302000 0.20 1380.6761470 0.09 1381.6297610 0.41 1387.8392330 0.30 1395.4501950 0.48 1396.6876220 0.34 1400.6071780 0.41 1405.6906740 0.11 1409.6795650 0.15 1410.7457280 0.36 1421.1033940 0.13 1421.8040770 1.06 1423.7519530 0.12 1427.4212650 1.46 1429.6744380 0.27 1433.2010500 0.30 1435.8504640 0.81 1437.4500730 0.28 1438.9493410 7.70 1439.9124760 4.21 1445.0350340 100.00 1446.3580320 1.18 1446.9930420 0.52 1448.5034180 0.26 1449.3631590 0.11 1454.6099850 0.45 1457.2613530 0.27 1462.7972410 0.95 1463.4302980 0.45 1464.2427980 0.09 1466.8226320 0.28 1468.8778080 1.17 1471.8869630 2.21 1472.4919430 9.32 1477.6835940 11.07 1478.4136960 18.66 1479.9285890 0.46 1481.3963620 1.33 1486.2420650 0.53 1490.9981690 0.95 1491.6368410 0.64 1495.1955570 0.03 1499.1524660 0.43 1501.1341550 0.24 1507.8630370 1.62 1508.5756840 0.28 1510.2462160 0.16 1511.4470210 0.46 1520.0777590 0.44 1529.5242920 0.08 1541.3907470 1.01 1542.0125730 0.21 1549.5339360 0.15 1552.8912350 2.43 1555.4235840 1.90 1556.2991940 0.48 1574.8083500 0.14 1577.2049560 0.60 1583.1246340 0.71 1602.0963130 0.57 1619.7227780 3.66 1620.3941650 1.75 1625.5123290 0.41 1634.0186770 0.20 1638.7531740 0.49 1645.0444340 0.08 1648.4327390 0.36 1659.0787350 0.28 1670.9539790 0.17 1684.3299560 2.30 1685.2409670 2.58 1705.3752440 0.28 1710.6104740 0.16 1725.9766850 0.04 1732.4986570 0.23 1739.0931400 0.28 1740.0100100 0.55 1748.5955810 2.18 1749.3548580 0.67 1751.9899900 0.05 1770.0728760 0.61 1789.3702390 0.53 1797.8542480 2.98 1798.8684080 2.51 1831.7513430 0.30 1853.3914790 0.28 1854.4471440 1.53 1855.3018800 0.11 1862.2127690 2.17 1862.9567870 3.45 1863.6646730 0.84 1870.9088130 0.44 1889.0944820 0.30 1889.9783940 1.63 1898.1700440 3.90 1898.9195560 3.87 1899.5238040 0.47 1903.1405030 0.23 1946.1085210 0.31 1950.3698730 0.85 1953.0863040 0.33 1966.8811040 4.71 1968.0765380 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 379.97 Annotation Unknow Peak:m/z Relative Intensity 110.1097641 0.12 114.1489944 0.36 116.0844116 0.29 126.9246368 0.22 128.6362762 0.18 130.0057526 0.15 132.9854736 0.13 134.9578552 0.40 137.2309723 0.30 138.1826172 0.19 140.8750610 0.25 141.8612823 0.22 150.9349823 0.16 154.8707123 0.21 155.9772034 0.39 156.8375397 0.46 157.9214478 0.14 159.0672150 0.16 161.8395386 0.60 164.0236511 0.40 165.1184540 0.13 167.8618164 0.30 170.1691895 0.11 170.9280396 0.25 175.2200623 1.27 177.1386719 0.07 179.0481262 2.70 180.1490479 0.60 183.9909973 2.88 186.1261292 0.33 188.2040863 0.11 189.2755432 0.22 192.3924713 0.23 195.2572937 0.35 198.8796539 0.17 200.0031128 0.67 201.9112549 2.48 205.3246307 0.25 209.3341217 0.27 214.3363037 0.18 217.1271057 0.88 218.1270447 0.62 224.8160400 0.30 228.4040222 0.13 229.7253418 1.66 230.9357910 0.32 232.1625671 0.89 233.1377563 0.74 233.9205017 0.43 239.1319580 0.97 240.0395203 0.09 242.2061462 0.40 245.0256348 0.59 247.0177002 0.75 247.9206848 0.21 249.0696716 0.23 250.0895691 0.74 251.0814514 0.46 253.1480713 0.40 255.2720947 0.76 258.1522827 1.60 259.0742798 0.96 264.1325989 0.32 265.0592651 0.23 267.4442139 0.20 269.1401978 0.26 273.0267334 0.24 275.9201660 1.13 277.2315674 0.56 279.3834839 0.40 282.1664124 3.74 282.9776611 0.53 287.0293274 0.15 289.0917358 0.30 290.1489868 0.70 291.1967773 1.09 293.2908020 0.10 294.4401245 0.07 296.1695862 0.28 299.3315735 0.53 299.9475708 0.09 302.2099609 0.15 303.1429138 0.37 305.1478882 1.65 306.3262329 1.65 307.7777100 0.57 308.5848389 1.26 309.4078369 1.48 310.5917358 0.56 316.1992188 0.35 317.2802124 0.48 318.1595459 1.08 325.0277710 0.19 333.3764343 1.37 334.1580505 0.84 335.9478760 100.00 336.6143799 0.51 337.5321045 0.09 338.4821777 0.10 343.3361816 0.54 345.4128113 0.16 346.8524475 0.36 348.6830444 0.65 349.3070374 0.36 350.1017761 0.10 351.3488464 0.94 352.3507996 0.34 361.1505432 7.37 362.0132141 4.16 363.2645569 0.23 364.6772156 0.51 370.5547485 1.02 371.2117004 0.21 371.8987732 0.17 379.2562561 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 817.2032 Annotation Kaempferol 3-glucosyl-(1->2)-gentiobioside Peak:m/z Relative Intensity 235.1523590 0.02 239.1818085 0.02 241.2759552 0.01 255.2209473 0.00 260.0327759 0.01 270.8141785 0.03 273.0318604 0.03 274.4770813 0.01 281.0679016 0.01 282.2265625 0.01 283.3570557 0.01 284.0249634 0.01 286.4957275 0.01 287.2834167 0.01 288.0604858 0.04 293.1091919 0.01 294.1660156 0.01 296.4822998 0.02 301.0057983 0.04 302.2040100 0.03 303.8652344 0.01 313.3084717 0.00 314.2633667 0.01 316.2113953 0.51 317.1700439 0.20 318.2784424 0.01 324.2018738 0.01 329.5201111 0.01 331.0983582 4.06 332.1140747 0.36 337.3159790 0.01 339.3247375 0.01 340.3650208 0.02 341.0254517 0.01 341.8851929 0.03 343.1952515 0.01 344.3789062 0.04 345.2295532 0.02 346.1027832 0.04 347.2834473 0.01 351.2996826 0.02 354.0620117 0.01 355.4351807 0.01 357.2169189 0.03 358.3527222 0.01 359.0200195 0.01 360.1643677 0.08 361.3366699 0.23 367.1507874 0.01 368.3905029 0.04 371.1122437 0.00 372.2505493 0.01 385.1600647 0.04 401.3864746 0.01 403.3901367 0.03 404.3882446 0.01 409.3608398 0.02 413.1258545 0.01 415.0458374 0.02 451.3090820 0.01 459.2248535 0.02 461.4808350 0.01 464.5654297 0.01 469.4082031 0.02 474.7375488 0.02 485.4371338 0.01 490.2565918 0.01 493.1625366 4.92 494.1011353 0.28 499.0763550 0.02 515.5792847 0.00 517.3089600 0.05 533.2969971 0.02 534.1303101 0.01 535.5756226 0.02 536.4590454 0.05 537.2949219 0.00 539.4302368 0.00 605.2912598 0.01 618.9348755 0.01 621.1836548 0.01 626.4051514 0.01 636.3576050 0.02 637.3754272 0.06 638.3696289 0.01 641.5656128 0.01 649.4916992 0.02 653.1044312 0.01 655.2351685 100.00 656.2141113 9.41 656.8842163 0.04 667.2312012 0.07 670.6602173 0.01 673.7258911 0.01 679.4219971 0.01 685.0814819 0.11 686.2738037 0.02 696.2108765 0.03 697.3530884 0.43 699.6991577 0.01 704.5961304 0.01 709.3170166 0.01 713.0726929 0.01 720.7347412 0.01 721.7098389 0.01 726.2722778 0.02 727.5071411 0.02 730.2201538 0.01 731.1833496 0.02 736.4465332 0.01 738.8549194 0.03 742.5517578 0.01 745.4472656 0.01 754.9000244 0.01 757.0964966 0.03 758.5871582 0.02 768.6414185 0.02 772.2208862 0.04 773.3027954 0.05 774.4844360 0.05 781.2276001 0.00 782.2742310 0.01 783.2523804 0.01 785.3207397 0.03 786.2962646 0.02 787.4890747 0.01 788.2008057 0.00 788.9633179 0.08 789.5684204 0.04 790.2620850 0.03 799.3324585 0.05 800.0151978 0.03 802.0414429 0.07 803.4384155 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 945.43 Annotation Unknow Peak:m/z Relative Intensity 265.1057739 0.17 275.2864075 0.13 303.3071899 0.91 304.0068970 0.17 330.9899902 0.28 335.1214600 0.17 337.0556335 0.55 378.4014282 0.09 387.4407043 0.11 391.5368652 0.32 394.3689575 0.32 395.5225220 0.11 397.5102539 0.26 407.6484985 0.31 409.4575195 0.91 413.8428345 0.24 445.3996582 0.32 448.4294434 0.39 479.6197510 0.49 490.4496460 0.24 505.3373413 0.11 517.3031006 0.12 531.7197266 0.09 533.2661133 0.22 541.2318115 0.28 547.0662842 0.21 551.3770752 0.37 553.6787109 0.41 556.4625854 10.84 558.4445801 0.75 561.5623169 0.08 569.2439575 0.24 569.8540649 0.61 571.4871826 17.35 572.1580200 0.42 574.5784302 0.55 589.4184570 2.27 591.2046509 0.26 596.3637695 0.21 598.7151489 0.70 619.5507202 0.06 623.6937866 0.14 629.3055420 0.10 631.6176147 0.17 634.5377808 0.54 641.6921997 0.10 655.5067139 0.64 659.9721069 0.18 666.6934204 0.24 667.6008911 0.75 669.5032959 0.13 670.5140991 8.15 673.4600220 0.52 685.4828491 3.82 688.3907471 1.11 697.3131104 0.56 703.5086060 1.48 718.8165283 0.57 721.2914429 0.25 733.4588623 1.96 734.4294434 0.46 736.4332886 20.19 738.9965210 0.57 748.4539795 0.22 750.1679077 0.23 751.5469360 6.28 753.5492554 0.29 754.5957642 0.11 765.4721069 1.46 769.4089966 9.62 771.3310547 0.10 772.4316406 0.61 776.5438843 1.04 783.4692993 0.68 791.1190796 0.15 793.2979126 0.32 803.6439209 0.30 814.8221436 0.36 818.4057617 0.10 819.7508545 0.10 821.6550903 0.27 825.0191040 0.24 827.1233521 0.25 839.9293823 0.12 841.1578979 0.40 847.6351318 1.20 850.6238403 25.57 851.9028931 0.17 855.1815796 5.60 865.3770142 6.31 867.5889282 0.33 868.5167236 3.15 869.9207764 0.10 873.3312988 0.18 883.4717407 4.22 885.4097290 1.34 894.3461304 0.64 897.3575439 0.22 901.5536499 0.38 906.9609985 0.42 909.4191284 6.33 910.0352173 0.44 912.3836060 1.19 913.4110718 0.44 927.4209595 100.00 928.0812378 0.64 928.7438965 1.06 930.3471680 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1105.8711 Annotation Unknow Peak:m/z Relative Intensity 308.2398071 0.07 326.5097351 0.04 330.7878418 0.13 338.0021057 0.06 339.1307068 0.11 341.4289856 0.03 355.1199036 0.07 356.2973938 0.30 364.3535461 0.06 369.2183838 0.19 370.0282593 0.09 374.3948669 0.15 376.4328918 0.10 380.8899536 0.16 382.8956299 0.20 384.0700684 0.04 391.4089966 0.08 397.0968018 0.03 401.3497314 0.49 402.4403687 0.04 405.0082397 0.02 409.1903076 0.04 410.2052917 0.27 412.3190308 0.05 417.7064819 0.07 419.8809814 0.57 420.5426636 0.04 425.6510620 0.13 427.4142456 0.03 430.9700317 0.07 434.4208069 0.25 441.6486511 0.24 442.2626953 0.07 443.8972473 0.19 445.6367188 0.20 447.2552795 0.04 450.4375916 0.20 451.7451477 0.40 455.5978088 0.09 456.5447388 0.08 458.3030701 0.04 459.2591248 0.16 462.1661987 0.32 463.6250000 0.07 464.6398315 0.05 468.0124817 0.11 472.1473694 0.03 473.4833069 0.13 474.3042603 0.31 476.0572815 0.11 477.2955627 0.33 477.9424438 0.12 482.1699829 1.89 483.5167236 0.34 484.4917603 0.06 485.5700073 0.06 489.2242432 0.20 491.0144653 5.08 491.9974976 0.76 493.1825562 0.10 497.9344788 0.17 498.5946655 0.30 499.8977051 0.22 500.5805359 0.12 504.9786377 0.34 505.5904236 0.42 506.2070618 0.13 510.6594849 0.25 513.8617554 0.14 520.6740112 0.11 526.7250366 0.19 529.5236206 0.02 531.6744385 0.29 532.4029541 0.23 538.5015869 0.06 540.6060791 3.02 541.3231201 0.30 546.6527100 0.08 548.6437988 0.53 549.6710205 0.32 551.2114258 0.05 552.5247803 0.02 557.1585083 0.09 564.4853516 0.12 565.6600342 0.03 566.3701172 0.05 567.4165039 0.07 572.4263916 0.07 577.4223022 0.14 578.1420898 0.02 580.4517822 0.08 582.4129639 0.04 583.4948730 0.08 589.3265381 0.67 590.0270996 0.03 598.1665039 12.15 599.0673218 2.30 600.1269531 0.24 601.9958496 1.61 609.3907471 0.10 610.5689697 0.13 611.5819702 0.03 615.5313721 0.07 619.5410156 0.11 621.6783447 0.13 624.8238525 0.07 628.6365967 0.05 637.8442993 0.03 638.6323853 0.06 654.6469727 0.22 656.1714478 0.39 661.4799805 0.03 664.5850830 0.23 666.7515869 0.04 668.3811035 0.05 676.7755127 0.34 678.0643311 0.41 680.6156616 0.07 682.4887695 0.42 683.7553101 0.06 691.3068237 0.04 692.7158203 0.15 698.7899170 0.04 702.5421753 0.07 705.0722046 0.09 706.0769043 0.14 708.4281616 0.25 709.6065063 0.07 710.8406982 0.31 711.5864258 0.06 712.2608643 0.06 714.2752075 0.15 718.6424561 0.14 720.6773071 0.09 723.6045532 0.04 727.6903076 0.15 728.5143433 0.05 729.5181274 0.11 732.0360107 0.23 738.3369751 0.61 739.6788330 0.04 740.7838745 2.34 741.5887451 0.55 742.4860840 0.05 745.3225098 0.23 749.6054688 0.05 750.3206787 0.32 755.6263428 1.57 756.4766235 0.69 757.5465088 0.14 760.4470215 0.11 763.9041748 0.13 765.0244141 0.11 769.5290527 0.04 772.5266113 0.08 774.7521973 0.03 781.6761475 0.40 782.4031982 0.08 783.0170898 0.07 790.2973633 0.11 792.4193115 0.38 793.4604492 0.08 798.3732910 3.81 799.0767822 0.84 800.4905396 0.38 801.1625977 0.42 805.8715820 0.07 809.1505127 0.13 809.7639160 0.72 810.6942139 0.17 811.7678223 0.22 822.4693604 0.12 825.8951416 0.03 835.7883301 0.09 837.5283203 0.57 838.6883545 0.27 839.8601074 0.29 845.3659668 0.18 848.7868652 0.13 852.7316895 0.11 853.7904053 0.22 854.6992188 0.08 856.0487061 0.13 857.5727539 0.54 858.8258057 0.28 859.5817871 0.20 863.5817871 0.06 864.4107666 0.08 866.9240723 0.64 868.2703857 0.73 870.6115723 0.17 873.4825439 0.04 875.2459717 0.08 880.9422607 0.21 881.7982178 0.10 883.7292480 1.64 884.8164062 0.49 885.7404785 0.28 886.7446289 0.06 887.4718018 0.07 888.3144531 0.20 889.7325439 0.04 891.2196045 0.02 894.6168213 0.15 895.5458984 0.34 900.9315186 0.09 902.2877197 0.65 902.9812012 0.13 909.4560547 0.58 910.3613281 0.34 911.6867676 0.17 918.5668945 0.21 919.5402832 0.06 923.3896484 0.35 936.8369141 0.10 938.5716553 0.06 946.9511719 0.04 947.8930664 0.07 949.5098877 0.22 951.7578125 0.11 952.7222900 0.15 957.7830811 0.15 958.5379639 0.40 959.8505859 0.10 961.7578125 0.07 962.5560303 0.39 963.9556885 0.36 965.6904297 0.02 966.5198975 0.76 967.2625732 0.54 968.1318359 0.21 971.5179443 0.21 980.6060791 3.30 981.7282715 2.34 982.7910156 0.89 983.8391113 0.21 989.5468750 0.27 992.3771973 0.10 993.0605469 0.07 996.5310059 0.11 998.5454102 0.19 1001.9221190 0.20 1003.1342770 0.02 1008.6877440 0.33 1010.0748290 0.28 1013.4406740 0.12 1014.2399900 0.95 1015.9912110 0.22 1016.6436770 0.30 1020.5930180 0.50 1022.4055180 0.13 1024.0666500 0.25 1025.8312990 0.39 1031.4630130 0.17 1032.7980960 0.96 1033.8977050 0.41 1034.8264160 0.18 1035.8892820 0.07 1037.8400880 0.23 1043.4582520 0.82 1047.2114260 0.31 1048.2056880 0.27 1049.8426510 0.33 1050.5379640 0.09 1051.5014650 0.27 1053.2301030 0.41 1053.8785400 0.02 1055.1407470 0.87 1056.6557620 0.23 1059.2521970 0.37 1060.5532230 0.02 1063.8750000 0.95 1064.7031250 0.17 1065.4018550 0.05 1066.0191650 0.50 1068.9252930 0.52 1069.6156010 1.06 1070.5993650 0.16 1071.6799320 0.58 1072.4334720 0.55 1073.1916500 0.38 1074.4638670 2.14 1075.1772460 0.64 1075.7884520 0.28 1076.6428220 1.78 1077.8311770 4.42 1078.6519780 2.38 1079.7788090 4.66 1080.5880130 4.10 1081.6157230 0.82 1082.5322270 0.23 1083.7346190 5.41 1084.8872070 0.95 1085.7556150 0.33 1087.3186040 1.92 1088.3341060 0.29 1089.5034180 0.06 1094.5212400 0.92 1095.5649410 0.28 1096.6024170 0.33 1098.4389650 0.14 1114.3060300 0.40 1118.1237790 0.19 1118.9528810 0.34 1120.8896480 0.07 1124.2860110 0.35 1127.5727540 0.03 1130.5991210 0.27 1135.7491460 0.18 1137.3039550 0.07 1142.0161130 0.40 1152.6926270 0.29 1154.3037110 0.26 1159.6247560 0.22 1160.8784180 0.75 1161.8857420 0.12 1166.5632320 1.00 1167.5273440 0.62 1170.0019530 0.02 1171.9389650 0.07 1176.5633540 0.13 1178.7226560 0.14 1180.7065430 0.19 1184.7304690 0.14 1188.8573000 0.14 1190.5848390 0.07 1194.2375490 0.49 1194.9150390 0.31 1195.7824710 0.28 1196.6644290 0.26 1197.9700930 0.03 1199.2941890 0.49 1200.0712890 0.23 1201.9516600 0.15 1205.4796140 0.08 1209.7462160 0.13 1210.6458740 0.13 1211.8651120 0.03 1214.1367190 0.04 1214.9606930 0.01 1216.4516600 0.08 1223.4853520 0.04 1225.0935060 0.04 1225.8885500 0.26 1227.1278080 0.07 1230.2391360 0.78 1234.3469240 0.56 1236.9581300 0.04 1240.8107910 0.18 1242.3088380 0.90 1243.0578610 0.15 1246.5385740 0.18 1250.8956300 0.46 1254.8458250 0.26 1257.2202150 0.77 1258.2213130 0.54 1260.2871090 0.14 1261.9414060 0.65 1264.6832280 0.32 1266.3129880 0.17 1267.4294430 0.24 1268.5638430 0.23 1271.3486330 0.11 1273.9223630 0.22 1275.3273930 0.38 1277.5644530 0.04 1278.2209470 0.42 1279.7977290 0.55 1280.5760500 0.35 1282.3399660 1.13 1283.6218260 0.10 1286.4133300 3.11 1287.3442380 0.75 1288.3674320 0.16 1289.6999510 0.49 1290.6103520 0.23 1291.7404790 0.34 1292.6547850 0.06 1293.3767090 0.24 1294.2185060 1.32 1295.1298830 0.06 1295.8380130 0.04 1297.0686040 1.46 1297.8354490 0.19 1298.6970210 0.20 1299.9779050 0.91 1300.8309330 0.94 1302.5053710 1.96 1303.4309080 2.20 1304.2343750 1.37 1305.0036620 1.82 1305.6511230 0.40 1306.3083500 1.30 1307.0938720 0.49 1307.7355960 0.27 1308.6135250 0.79 1309.2203370 0.43 1309.9877930 0.51 1311.8004150 8.16 1312.6544190 3.86 1313.5340580 0.78 1314.6123050 1.73 1315.6547850 0.23 1316.2574460 0.33 1318.5935060 5.32 1319.5876460 0.87 1322.2817380 4.46 1323.0854490 2.33 1324.7523190 0.22 1326.4458010 0.36 1327.5639650 0.51 1329.0853270 1.04 1329.8260500 0.40 1330.7989500 0.57 1331.5819090 0.38 1332.2180180 0.56 1332.8504640 0.12 1334.7030030 0.35 1336.3050540 4.79 1336.9703370 1.58 1337.7703860 0.65 1338.8679200 0.38 1343.4708250 0.92 1344.1893310 0.62 1344.9556880 0.41 1345.8333740 1.31 1347.0032960 3.74 1348.0194090 0.98 1349.9379880 11.65 1350.7108150 1.62 1352.5469970 0.22 1353.7587890 10.12 1354.4549560 100.00 1356.1109620 0.58 1357.3939210 0.72 1358.1583250 0.20 1359.1090090 0.74 1361.0179440 0.24 1365.8065190 0.14 1367.0592040 0.31 1367.8676760 0.86 1368.6481930 0.02 1369.8145750 0.06 1371.6905520 0.02 1372.9127200 0.30 1373.5159910 0.23 1374.5963130 0.57 1375.5828860 0.22 1379.0787350 0.26 1382.7740480 0.05 1389.7769780 0.23 1392.0145260 0.15 1392.8956300 0.17 1394.7854000 0.31 1395.4952390 0.51 1397.4416500 0.07 1398.6505130 0.27 1407.1092530 0.63 1407.8419190 0.61 1409.1727290 0.07 1410.7064210 0.11 1412.8753660 0.04 1414.1715090 0.16 1420.0518800 0.16 1428.6141360 1.13 1429.5695800 0.20 1432.9410400 0.46 1433.7874760 0.56 1434.4989010 0.41 1435.7498780 0.52 1436.5886230 0.68 1437.3684080 0.30 1439.5272220 3.96 1440.3743900 4.44 1441.1679690 0.57 1443.3493650 0.24 1445.2578120 50.57 1445.9490970 40.62 1446.8182370 7.09 1447.6357420 0.37 1449.1010740 0.26 1451.6873780 0.04 1453.5220950 0.03 1455.4324950 0.07 1457.2893070 0.31 1458.1134030 0.15 1461.1748050 0.22 1463.2209470 1.88 1464.2132570 0.61 1465.1638180 0.20 1466.3576660 0.41 1467.3626710 0.35 1469.0528560 1.33 1470.1081540 0.76 1472.4943850 3.35 1473.5552980 1.59 1477.9196780 4.33 1478.5609130 17.50 1479.3843990 11.64 1480.6563720 1.30 1481.6116940 1.34 1482.9213870 0.33 1483.9312740 0.02 1485.4515380 0.35 1490.7116700 0.50 1493.1793210 0.07 1497.4370120 0.05 1498.2515870 0.19 1502.3387450 0.14 1508.8248290 0.07 1510.7137450 0.06 1519.8662110 0.57 1520.9864500 0.88 1522.1450200 0.58 1538.6271970 0.13 1540.6853030 0.06 1541.9552000 0.22 1542.7103270 0.11 1544.2550050 0.23 1547.9284670 0.62 1548.7724610 0.14 1553.1131590 0.56 1553.8371580 0.77 1554.8752440 0.67 1555.8511960 1.29 1556.9320070 0.69 1558.9561770 0.04 1564.6276860 0.13 1566.8209230 0.17 1567.5596920 0.17 1570.0972900 0.31 1577.5590820 0.10 1581.8182370 0.27 1587.1300050 0.06 1588.4696040 0.09 1589.7821040 0.04 1593.8033450 0.07 1595.6749270 0.11 1604.9603270 0.09 1607.0313720 0.14 1611.8562010 0.32 1613.8957520 0.19 1615.9854740 0.22 1619.9741210 1.44 1620.9401860 1.44 1621.7258300 0.70 1622.9852290 0.35 1625.7196040 0.09 1629.7139890 0.10 1634.0311280 0.10 1634.8002930 0.07 1635.5549320 0.18 1639.5203860 0.24 1650.5383300 0.09 1651.2965090 0.04 1656.1760250 0.22 1662.7585450 0.11 1667.3596190 0.08 1670.8465580 0.19 1675.5765380 0.03 1676.2071530 0.26 1677.7224120 0.43 1680.2381590 0.16 1684.9318850 1.94 1686.0360110 1.07 1686.7977290 0.11 1714.1961670 0.07 1726.3439940 0.20 1731.2034910 0.03 1734.4373780 0.27 1735.9178470 0.39 1737.0404050 0.02 1739.0526120 0.04 1740.1182860 0.12 1740.8507080 0.15 1742.0598140 0.64 1746.9305420 0.04 1748.2481690 0.47 1749.2722170 2.07 1750.1672360 0.18 1750.7746580 0.32 1778.1994630 0.08 1784.8260500 0.29 1790.0137940 0.30 1792.8205570 0.15 1794.0203860 0.02 1797.9327390 1.11 1798.6214600 0.96 1799.5797120 0.23 1800.2647710 0.26 1804.5051270 0.03 1810.8280030 0.25 1815.8231200 0.03 1831.9774170 0.15 1840.7722170 0.06 1848.0858150 0.07 1849.8175050 0.15 1854.9818120 0.54 1855.9903560 0.79 1863.1662600 2.24 1863.9837650 2.19 1864.9680180 1.11 1865.7966310 0.13 1866.5389400 0.11 1871.4382320 0.37 1875.9910890 0.11 1881.8259280 0.20 1886.4040530 0.47 1889.2645260 0.25 1890.2507320 0.96 1891.8104250 0.08 1898.0291750 2.24 1898.8358150 2.66 1899.7536620 3.78 1901.1540530 0.86 1927.0174560 0.06 1936.8133540 0.10 1950.6627200 0.20 1952.9366460 0.15 1954.0919190 0.54 1958.6038820 0.25 1959.2716060 0.01 1960.3519290 0.58 1962.0246580 0.14 1964.0238040 0.07 1966.1275630 0.20 1967.3894040 2.68 1968.0782470 1.32 1969.1849370 0.89 1973.8049320 0.07 1982.6145020 0.07 1987.5028080 0.06 1989.4488530 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 518.3229 Annotation PC(18:3(6Z,9Z,12Z)/0:0) Peak:m/z Relative Intensity 166.1804657 0.31 171.0569763 0.08 177.2030334 0.06 184.0106049 100.00 210.2956543 0.04 234.4037018 0.10 237.3582764 0.04 258.1818237 0.32 268.4205933 0.11 271.2559204 0.05 275.1786499 0.04 277.0676880 0.05 282.3649902 0.36 291.5693359 0.02 309.5612183 0.04 323.1361084 0.09 331.4607544 0.11 333.6456909 0.12 335.2816772 0.07 339.3233643 0.06 345.3455200 0.05 347.3184814 0.06 355.4122925 0.08 366.1458130 0.06 367.2033691 0.16 370.5320435 0.08 379.4393311 0.05 384.9232788 0.03 393.3237305 0.04 394.6386719 0.07 415.5175781 0.07 419.5207520 0.04 425.5551147 0.08 441.6052856 0.06 450.3320923 0.06 454.9451904 0.25 459.2406006 0.17 460.5521240 0.03 469.4010620 0.09 473.2664185 0.19 474.3275146 0.10 477.5101318 0.09 481.4131470 0.09 483.3418579 0.03 500.3904419 71.00 501.1336060 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 525.3068 Annotation Salvigreside B Peak:m/z Relative Intensity 159.2022247 0.27 176.3174133 0.03 243.0043030 0.09 254.7890472 0.01 267.0904541 0.02 276.4610596 0.05 301.4920654 0.02 319.4067383 0.19 358.1727905 0.05 363.2756958 0.04 391.5438232 0.02 395.4150391 0.01 405.6391602 0.05 410.9804077 0.07 413.1837769 0.06 447.9329224 0.04 449.6177368 0.23 461.3646851 0.08 467.7312012 0.02 477.6385498 0.14 479.3493042 100.00 480.0237427 0.15 492.3657837 0.15 493.1994629 0.18 506.4251099 0.06 507.3776245 0.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 593.1956 Annotation Unknow Peak:m/z Relative Intensity 170.0561523 0.60 177.9665070 0.10 188.0703278 46.15 197.2280273 0.20 205.0813141 100.00 221.1490021 0.19 228.1593628 0.25 230.7970734 0.14 254.0956421 0.34 261.3689575 0.09 265.4971008 0.50 266.1710815 0.85 266.9717407 0.31 269.4531250 0.26 277.9777527 0.13 279.4871216 0.05 281.1343994 0.58 283.3421326 0.12 289.1958618 0.20 297.3609619 0.13 299.2172241 0.12 307.4797363 0.34 308.3869019 0.23 309.4215698 3.11 310.3818970 4.32 311.0906372 0.05 313.4038696 0.31 324.2738037 0.20 325.1157837 0.42 327.4127197 0.15 328.6302490 0.54 343.2467041 0.44 344.0971069 1.25 345.0655518 0.19 346.8792725 0.13 350.0303345 0.13 352.1127930 0.08 353.0811768 0.05 354.4619141 0.09 355.2571411 0.51 371.0543213 0.69 378.1472168 0.26 380.1159668 0.07 381.4030151 0.20 387.2889404 0.12 389.1132202 0.06 397.4616089 0.06 403.1702271 0.10 413.0777588 0.38 416.3505859 0.06 417.4098511 0.33 422.8359985 0.60 429.0677490 0.12 430.5911865 0.18 431.1982422 0.99 452.3758545 0.91 453.3085327 0.13 458.8193970 0.20 459.4328613 0.87 462.2932129 0.31 463.0765991 0.21 469.2211914 0.13 470.7990723 0.46 472.7827759 0.06 488.1359863 0.21 500.2911377 0.30 502.1349487 0.24 503.3142700 0.11 504.7356567 0.18 505.7166138 0.15 506.5116577 0.29 507.9143066 0.19 517.3850098 0.62 518.2230835 0.15 529.2813110 0.07 529.9425659 0.09 532.4063721 0.47 542.8249512 0.63 547.2992554 0.79 548.5894775 1.60 551.1846924 0.12 556.7673950 0.49 557.3811035 0.26 558.0083618 0.13 560.3628540 0.15 563.7037964 0.09 564.4022827 0.24 565.1439209 0.07 567.2800293 0.05 568.8723755 0.59 574.2465820 0.91 575.3380737 0.81 576.2960205 0.69 579.2429199 0.22 581.8386230 0.60 582.4993286 1.68 583.6146851 1.38 584.3507690 0.57 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 695.36 Annotation Periforoside I Peak:m/z Relative Intensity 221.3091736 0.43 222.2205048 0.18 223.9656982 0.04 227.5542145 0.06 239.3146973 0.20 241.2997437 0.10 249.1897278 0.04 253.3262177 0.08 255.7926941 0.13 256.4481812 0.14 257.2358093 0.09 259.2330322 0.39 260.2623901 0.18 264.5739441 0.16 265.2328796 0.13 266.4999390 0.19 267.4113159 0.05 283.2525024 0.65 285.2046509 0.79 286.2026672 0.16 287.4915161 0.24 299.2349548 0.11 300.3261414 0.34 301.2075195 0.41 302.4253235 0.44 303.3203125 0.04 305.0737915 0.12 306.2146912 0.16 306.8544006 0.03 309.1419678 0.40 310.1322327 0.18 314.2568359 0.08 315.4254456 0.05 318.1914673 0.09 319.3222046 0.86 320.2189941 0.47 321.1422119 0.51 322.1021729 0.08 323.5744019 0.20 325.2761230 0.27 327.4685059 0.14 328.3244629 0.07 328.9307251 0.40 330.1171570 0.05 331.3297119 0.73 335.6898193 0.19 337.1761169 0.35 338.1666260 0.75 339.2560120 0.36 343.1353149 0.36 344.3185425 1.02 345.2945557 0.13 346.8568115 0.33 348.9510498 0.25 350.3179321 0.38 353.0386963 0.31 355.3301392 0.07 357.5670166 0.16 360.4134521 0.05 362.2978516 0.06 368.7215576 0.10 371.2398682 0.43 375.5850220 0.10 376.4439087 0.15 377.3143311 0.07 379.2918701 0.17 382.1638794 0.27 382.8762817 0.10 385.6087646 0.11 386.6865845 0.07 388.0771484 0.80 389.5037842 0.05 390.6086426 0.17 393.2449341 0.42 395.2322388 0.15 397.0380859 0.12 404.4818115 0.23 408.1040649 0.16 409.3356934 0.22 411.3516235 5.29 412.6712646 0.06 415.3935547 0.50 418.1893311 0.05 419.0589600 0.03 425.2172852 0.54 427.0694580 0.40 427.8259888 0.15 429.2634277 7.59 429.8674927 0.37 430.4709473 0.11 432.4416504 0.25 433.5578613 0.07 435.1672974 0.48 442.3161621 0.37 445.4672852 0.43 446.7737427 0.58 447.9273682 1.10 452.4747314 0.10 455.5922241 0.09 457.1193237 0.14 459.3656006 0.39 461.3175659 0.25 463.3240356 0.26 464.0088501 0.20 472.3775024 0.20 473.3721924 0.20 476.8314819 0.32 477.6723633 0.65 479.0265503 0.97 482.9895630 0.03 489.2189941 0.05 491.7235107 0.10 492.5785522 0.19 494.3340454 0.15 495.1100464 0.12 498.4196777 0.26 500.9078979 1.26 503.1068726 0.16 504.2218018 0.09 507.4614258 0.11 509.5521240 0.04 511.1751099 0.46 514.2257080 0.39 515.1530762 0.43 518.6292725 0.03 519.4481812 0.10 520.5681763 0.93 521.3557129 0.12 522.3562012 0.53 523.1141357 0.54 524.1785889 0.04 531.3017578 0.23 532.1835327 0.04 533.3892212 0.17 534.1161499 0.20 536.1124878 0.97 537.1397095 0.15 538.1885986 1.93 541.1021118 0.07 543.2308960 0.04 544.8583374 0.90 545.4625854 0.54 548.2304077 0.08 553.3219604 0.15 555.0289917 0.07 557.8662109 0.08 561.4601440 0.12 564.3302612 0.55 565.2965698 0.17 566.7212524 1.79 567.5442505 0.75 570.2894897 0.13 571.2163696 0.05 572.6217041 0.13 575.6401367 0.20 577.5556030 0.27 580.1002808 1.02 581.0382690 0.12 581.7919312 0.12 588.8818970 2.02 589.5780640 1.09 590.9990845 0.42 595.3423462 0.32 597.4417114 0.61 598.4621582 0.22 600.4885864 0.06 602.3333130 0.94 603.2537842 0.12 604.9390259 0.30 609.8583374 0.19 610.9025879 2.27 611.6580200 0.50 612.7637939 0.49 615.3790283 0.11 618.4949341 0.12 619.9075928 0.06 623.2077026 0.11 624.6492920 1.02 626.5365601 0.73 627.4797974 0.22 633.0086060 3.85 633.9671021 1.45 635.3729858 0.07 636.2482300 0.51 640.2393188 0.05 641.0924072 0.37 642.2496948 3.08 643.0942993 0.03 644.2484131 2.53 645.2435913 0.57 646.4237061 0.28 648.1615601 0.17 649.4208374 0.21 651.3629761 0.58 654.4218140 0.29 655.3672485 1.76 656.1810913 0.29 657.5586548 0.82 658.3656616 2.22 659.3559570 5.97 662.2678833 2.28 663.5039062 4.15 664.2689819 3.13 665.1712646 0.50 666.1056519 0.10 667.7014771 0.59 668.6314087 0.75 669.4722290 0.20 670.8432007 0.61 671.5545654 0.46 672.2166138 0.12 674.6569214 1.25 675.5864258 1.21 676.3086548 13.53 676.9508057 6.11 677.6515503 100.00 679.6758423 0.20 680.4264526 0.16 681.8129883 0.23 685.8958740 2.50 699.5733032 0.13 701.8696899 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1125.2932 Annotation Unknow Peak:m/z Relative Intensity 313.5610962 0.05 316.1037903 0.11 323.2743835 0.11 331.0433044 0.96 345.1670532 0.04 355.0840454 0.07 373.1042786 0.21 373.8964844 0.01 383.1633301 0.07 397.3392944 0.05 427.1739502 0.07 439.3404236 0.19 440.9493713 0.07 442.0646973 0.06 445.1725159 0.05 455.0869751 0.03 485.6482544 0.04 487.1728516 0.05 499.3128357 0.07 509.1716919 0.02 517.4836426 0.05 523.2023926 0.05 527.1899414 0.09 531.3885498 0.04 538.5067749 0.03 557.1454468 0.04 573.2807617 0.06 577.3066406 0.02 593.2702637 0.05 594.3555908 0.07 599.3217773 0.16 610.9865723 0.04 617.4715576 0.05 620.5666504 0.14 622.3157959 0.04 631.3617554 0.05 637.2091675 0.46 638.2265015 0.09 645.6591187 0.04 646.4320068 0.05 655.4165039 0.26 656.3823242 0.20 667.6339722 0.34 668.3283691 0.03 683.3521729 0.04 698.3432007 0.07 700.2404175 0.04 701.3997192 0.04 737.1717529 0.07 751.3061523 0.03 752.5049438 0.08 767.2062378 0.03 769.2600708 0.19 770.3043823 0.16 773.2739258 0.09 779.3879395 0.38 780.2846680 0.12 783.6146240 0.12 787.3004761 2.23 788.2819824 0.92 793.3646240 0.16 794.4454346 0.03 799.4780273 0.02 802.4393921 0.08 813.1953125 0.59 814.0032959 0.11 818.3469238 0.17 821.4249268 0.10 829.6092529 0.05 831.3084717 0.30 832.2598877 0.49 839.0484619 0.02 843.1582031 0.02 844.4382324 0.09 857.2207031 0.02 900.7398682 0.03 931.3376465 8.73 932.4077148 4.87 934.1604004 0.06 935.1734619 0.03 945.4111328 0.57 946.5994873 0.34 949.2996826 100.00 950.3702393 40.80 961.5120850 0.05 963.2966309 29.40 964.2729492 9.88 964.9365234 0.07 969.1630859 0.06 975.3958740 0.09 993.1210938 0.12 1003.4296880 0.04 1005.2834470 0.16 1006.5142820 0.03 1050.5512700 0.10 1063.3754880 0.02 1081.2531740 0.08 1093.4060060 0.14 1105.4095460 0.03 1107.2421880 0.16 1108.2348630 0.13 1110.5017090 0.07 1111.5908200 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 677.28 Annotation Unknow Peak:m/z Relative Intensity 193.2699280 0.07 230.2427368 0.05 233.0157776 0.09 239.4218597 0.03 256.0975952 0.11 258.4214478 0.05 267.2639160 0.27 274.0919189 0.16 285.5198059 0.02 289.4399109 0.12 293.4563599 0.03 299.2829590 0.10 303.2427368 0.38 304.6398926 0.44 319.3798523 0.05 321.1601562 0.10 323.1766357 0.17 331.0517578 0.05 336.8380737 0.28 337.5609436 0.35 338.4560547 0.20 339.4028320 0.21 342.9358521 0.04 347.2758789 0.41 351.3582764 0.08 352.6032104 0.21 353.4221802 0.09 354.1892090 0.15 355.1278076 0.39 357.2581177 0.07 365.6275024 0.03 369.2836914 0.92 372.9758301 0.04 375.0837402 0.26 379.1638184 0.05 393.4315186 0.80 394.6287842 0.14 395.4521484 0.18 405.9689941 0.04 411.3381348 4.58 411.9587402 0.21 415.3450928 0.04 428.3534546 0.12 429.3526611 5.32 429.9858398 0.15 434.3095093 0.16 448.1172485 0.08 452.4403076 0.12 459.1137695 0.04 463.1906128 0.22 463.8817139 0.14 467.3086548 0.13 469.3213501 0.09 472.0663452 0.18 474.5411987 0.24 477.7525024 0.31 482.0809937 0.15 484.2291260 0.08 488.1734009 0.78 490.2106323 2.82 492.4582520 3.57 494.7737427 0.31 495.8447876 0.10 497.2534180 0.32 500.4892578 0.23 501.5123901 0.21 502.3445435 0.11 503.3190308 0.11 504.4166260 0.03 506.3423462 2.18 508.2826538 0.29 511.3609009 0.26 512.3490601 1.03 513.6320801 0.35 514.4718018 0.53 515.4166870 0.12 520.3170776 42.45 522.2636719 100.00 522.9561157 0.36 524.2281494 0.68 525.6163940 0.10 528.3980713 0.08 530.1561890 0.55 531.8914795 0.04 534.4741821 0.02 536.1414185 0.07 538.1868286 6.94 538.8452148 0.06 543.2208862 0.11 551.2407837 0.07 552.2076416 0.06 556.3690796 0.04 561.4649658 0.11 563.5787964 0.04 565.2354126 0.07 569.0377197 0.05 579.2758179 0.37 591.3637085 0.08 595.5732422 0.06 599.3531494 0.13 601.3756714 0.50 603.9373169 0.10 609.2092896 0.07 610.5727539 0.30 613.6317749 0.45 615.0867920 0.56 615.9026489 0.17 617.4343872 1.04 618.5388794 0.24 619.4537354 0.09 620.9837036 0.03 623.4970703 0.12 627.2429810 2.09 631.3841553 0.47 632.8462524 1.05 633.5134277 0.40 636.3239136 0.10 641.3301392 5.89 642.2863159 0.14 645.2619629 22.36 646.4879761 0.04 647.7247925 0.06 649.3934937 0.38 652.0737915 0.21 658.5329590 3.04 659.2224121 17.47 659.8418579 0.07 662.4052124 0.23 664.6325073 0.16 676.2876587 0.11 679.2297363 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 290.85 Annotation gamma-Pentachlorocyclohexene Peak:m/z Relative Intensity 112.8138123 0.01 122.7644043 1.74 130.8331909 0.04 143.0649567 0.02 149.1135254 0.02 158.0363159 0.01 185.2657928 0.04 194.0475159 0.02 206.8140259 100.00 207.4300232 0.33 215.9465637 0.02 217.1839294 0.02 223.0495605 4.00 245.0676575 0.01 250.2904968 0.02 255.1655273 0.09 262.3796082 0.02 263.1173706 0.01 272.1329651 0.08 273.2458191 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 599.4079 Annotation (3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one Peak:m/z Relative Intensity 167.1044312 0.09 168.0628662 0.13 169.0029602 0.23 171.2504883 0.23 172.9346924 0.50 175.1142120 0.59 176.0942993 0.21 177.4350891 0.46 178.0890350 0.37 179.1334839 0.85 180.0696869 0.39 181.1073456 1.12 181.9934235 0.09 183.1451111 0.55 185.1444550 1.79 186.8598785 0.29 189.1373291 0.33 190.1912537 0.24 191.1673584 0.93 192.0836029 0.17 193.1450958 1.13 193.9182129 0.05 194.9589081 1.47 197.1802979 1.25 199.2191772 1.09 201.1160889 0.94 203.2200775 2.89 204.9549713 0.25 206.3304291 0.87 207.1883545 3.23 208.0974426 0.11 209.1313782 5.87 210.0841064 0.17 211.1192017 0.93 213.3444824 0.48 215.1754303 0.47 216.0904083 0.07 217.1853638 0.55 219.2771759 0.86 221.1796875 15.12 223.1609802 2.41 225.2876587 0.79 227.1795349 0.46 228.1210938 0.18 229.2395172 0.94 231.1303406 1.15 233.1861572 3.38 235.1549683 2.45 236.3857574 0.56 237.2757721 2.41 239.1601868 1.26 240.3357086 0.14 241.1888733 0.59 242.3604431 0.14 243.2425537 0.23 245.2024536 0.80 246.2853241 0.26 247.1920929 2.92 248.3950500 0.13 249.1974792 0.47 251.1157074 1.88 253.2205048 0.55 255.0977783 0.63 257.4125977 0.32 259.4407349 2.33 260.2948303 0.18 261.2313538 3.37 262.0379639 0.19 263.1492920 2.12 263.9844360 0.11 265.1625977 0.64 267.2345581 1.22 269.3200989 0.33 270.2397156 0.14 271.1995239 1.71 272.0683289 0.48 273.1878662 2.69 274.2255554 0.31 275.2507935 1.11 277.1172485 2.16 279.2963257 0.38 280.2956238 0.13 281.1485596 2.49 282.3074036 0.30 283.0740356 0.05 285.0046997 1.51 286.0737610 1.30 287.2424927 2.12 288.2820435 0.16 289.2732239 1.14 291.3493652 1.68 293.2334595 2.26 295.4176636 0.20 297.2193298 0.23 298.1890564 0.11 299.2705078 2.72 301.2916565 1.58 303.2412415 1.05 305.2472229 1.33 307.2882690 1.85 308.2798462 0.35 309.4303589 0.10 311.2844238 2.56 312.3169250 0.35 313.2987671 1.22 315.2655945 0.85 317.3647461 1.30 319.1031799 0.57 321.3821411 1.23 323.1498413 0.79 325.3181763 1.55 327.3613892 0.55 328.2670288 0.05 329.2744751 1.20 331.2569580 0.98 333.3887329 1.64 335.4674683 0.62 337.2644043 0.39 338.1118164 0.09 339.3978882 0.33 341.3993530 1.43 343.2182007 0.93 345.2403564 0.64 347.3347778 0.95 349.4595947 0.65 351.2873535 0.68 352.4414673 0.29 353.4102173 0.62 355.4174805 1.54 357.5284424 0.48 359.2664185 1.69 361.2920532 1.81 363.5178833 1.51 364.3272095 4.80 365.3803101 4.27 367.3853149 0.21 369.4266968 0.44 371.1355591 0.83 373.3717041 3.05 375.2618408 0.92 376.2109985 0.49 377.3562012 7.16 378.5668335 0.45 379.3352661 0.61 381.4108887 0.78 383.3133545 1.34 384.2501221 0.30 385.4289551 0.86 386.4989014 0.22 387.4232788 0.73 388.4344482 0.33 389.3736572 1.30 390.4417114 0.82 391.2808228 5.25 393.6863403 0.60 394.4761353 0.17 395.2902832 0.41 397.4205933 1.56 399.3876953 0.48 401.4345093 2.90 402.4723511 0.17 403.2319336 0.55 405.2205811 0.30 407.4030151 0.20 408.2771606 0.29 409.4626465 0.89 410.4898071 0.09 411.1729126 0.47 413.4962158 1.43 414.4600830 0.09 415.4439087 2.29 416.6423950 0.61 417.3188477 0.40 418.1943359 0.13 419.4816895 2.03 423.3723755 1.08 425.5399170 0.91 426.3977661 0.31 427.3291016 0.56 428.9244385 0.17 431.4274292 2.82 432.8403320 0.08 433.6068726 0.32 437.4542236 0.50 439.2466431 0.53 439.9448853 0.35 441.4412842 6.29 443.4119263 1.55 444.4503784 0.18 445.2177734 0.32 447.5203857 0.15 449.4711914 0.20 451.5855103 0.66 453.4824829 0.66 455.0102539 0.35 456.5415039 0.32 457.5743408 0.81 459.3234253 0.35 461.5703735 0.60 462.5748901 0.28 463.5417480 1.17 465.5819092 0.42 467.4688110 0.15 469.3249512 0.27 471.4522705 0.92 472.4611206 0.39 473.7164307 0.41 475.4433594 0.49 476.4510498 0.47 477.4421387 0.43 479.5778809 0.35 480.4208984 0.45 481.4816895 0.31 485.5910034 0.34 487.5408325 0.21 488.3515015 0.66 489.3178711 2.75 489.9823608 0.19 493.3978882 5.06 495.2775269 0.20 497.6459351 0.53 498.8369751 0.09 499.7814331 0.44 501.6533203 0.98 503.4721069 0.38 505.5789185 0.49 507.4124146 100.00 508.0951538 0.34 513.4869385 0.24 515.5707397 0.33 519.9763794 0.92 520.7696533 0.07 521.4832764 0.36 523.6449585 0.65 525.5167847 3.16 526.9044800 0.25 527.5347290 0.07 530.4431763 0.14 535.9318237 0.12 538.6876831 0.30 539.6365356 0.12 541.4344482 0.64 542.7769165 0.46 543.6015625 1.37 544.3992310 0.16 545.4645386 1.81 548.4888916 0.17 556.4877319 0.09 557.6083374 0.34 563.4495239 6.54 571.5420532 0.28 580.9739380 2.00 581.5894775 39.16 584.4030151 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 502.92 Annotation Unknow Peak:m/z Relative Intensity 156.7133179 0.10 159.0413971 4.12 160.0119781 0.57 161.0189056 0.82 199.1230774 0.45 200.0520630 0.18 200.9606323 0.18 217.1046448 0.18 219.1351166 0.06 229.1122894 0.92 230.0172729 0.29 231.0992889 0.39 271.0963745 0.14 272.9846802 56.95 274.0156250 37.31 274.9714966 28.00 387.0484314 59.19 387.9925232 93.09 388.9335938 100.00 389.6482849 0.05 396.9400635 0.02 412.1859131 0.09 428.0455627 0.18 428.7541504 0.16 456.3938904 0.31 457.1842041 0.15 458.3155518 0.37 458.9566956 0.25 484.3474731 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 337.06 Annotation 2-O-Acetyl-trans-coutaric acid Peak:m/z Relative Intensity 102.9921341 0.10 112.9551315 14.23 119.0975800 0.78 127.0050049 0.57 130.9165039 1.02 155.1006775 0.07 163.0071106 12.22 173.0721436 0.23 188.9826202 0.03 191.0743103 27.32 203.1978607 0.17 205.1378937 0.29 233.0567017 0.07 248.8124695 0.02 258.4392090 0.02 259.1657104 0.06 277.0602417 100.00 293.0559082 0.09 295.0778198 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 457.1927 Annotation Unknow Peak:m/z Relative Intensity 130.9800415 0.17 148.8171387 0.14 150.8694153 0.23 160.4199524 0.13 161.3513794 0.07 162.1076508 0.06 162.9911499 2.28 168.3571777 0.08 172.2783356 0.06 183.0526428 0.06 185.2089691 0.05 188.8430481 0.08 191.0376282 0.57 192.9385681 0.08 215.1374207 0.05 221.7143250 0.18 225.9111938 0.17 227.2643738 0.27 229.0600586 0.10 245.0108032 0.09 249.2853088 0.36 252.8504028 0.11 256.7683411 0.06 259.2577515 0.09 277.0982666 0.16 292.9098816 0.19 295.1341858 1.00 301.0734863 0.18 303.4606323 0.07 311.1472168 0.06 316.9667358 0.03 325.2227783 2.69 326.9867859 0.17 333.1506958 0.13 336.2484131 0.27 339.2711487 0.08 341.0039673 0.10 342.3828735 0.53 343.2518311 0.09 344.0324707 0.06 351.1587524 0.15 363.1695862 0.16 364.3651123 0.18 369.1541748 0.34 370.7994690 0.09 373.1739807 0.25 385.3427124 0.74 391.1658325 0.13 393.2333069 0.08 396.2175293 0.04 397.1869812 0.42 398.2139587 0.13 411.2981262 100.00 412.5479431 0.46 413.5306091 0.23 414.2375183 0.06 419.1419678 0.14 421.1975403 0.96 422.3725586 0.07 424.2875671 0.14 425.1366272 0.03 433.6440430 0.18 437.2709961 0.14 438.0843506 0.64 439.2572021 0.16 440.1899109 0.11 442.2348328 0.10 443.2864075 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 596.64 Annotation Unknow Peak:m/z Relative Intensity 256.0502625 0.29 306.9291382 0.28 317.7357483 0.38 319.9598999 0.21 323.1704102 0.35 345.0328369 0.13 380.2232056 0.11 387.6090088 0.16 425.4939575 0.13 453.9515381 0.79 466.9379272 0.12 467.6904907 0.10 478.8147583 0.11 483.5578613 0.73 484.9674072 0.22 490.4820557 0.37 491.7451172 0.20 492.8587036 1.41 496.3439941 0.12 497.5992432 0.38 504.7293091 0.11 505.5856323 0.29 506.7155151 62.77 507.8126831 3.21 510.3350830 0.30 520.9686890 0.80 522.6520386 100.00 523.9777832 4.95 524.6101685 8.42 525.6841431 0.22 532.1869507 0.39 534.5434570 0.10 537.7327881 0.08 538.9636841 0.36 539.7182617 1.35 540.3953247 3.86 541.2276611 0.18 546.6648560 0.07 548.5441284 0.63 550.2975464 2.40 551.8765259 2.68 552.6921387 2.46 553.5569458 0.09 554.5645142 0.21 555.6908569 0.91 559.1657715 4.38 559.7692871 0.33 560.5057373 0.66 562.0714722 0.18 564.6546021 0.44 565.7378540 0.64 566.7180176 0.75 567.4295044 1.21 568.4143677 1.18 569.4810181 1.01 572.4439087 0.55 573.2052612 1.20 574.5336304 1.20 575.9166870 4.48 577.3143921 0.06 578.5933838 1.21 581.0058594 0.52 582.4473267 2.61 583.1406250 0.65 584.5476074 0.25 585.9520874 0.39 588.3909302 0.43 594.0812378 0.15 596.0326538 1.12 597.0507812 1.62 597.7600708 0.04 599.0883179 0.53 605.0382690 0.38 606.0414429 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 548.77 Annotation Unknow Peak:m/z Relative Intensity 212.9216309 0.38 245.4258728 0.04 296.8173523 12.75 323.1080322 0.13 380.6871948 58.84 387.0340576 0.08 392.7590942 0.03 413.0939941 0.11 428.7557983 0.07 458.3881836 0.08 462.1921997 1.05 463.0829468 1.40 464.4837646 100.00 465.3702393 0.32 502.8920898 0.30 512.9948730 0.21 530.9968872 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 709.1194 Annotation Unknow Peak:m/z Relative Intensity 205.1951904 0.04 209.2966003 0.05 254.2431641 0.07 272.0292358 0.08 291.1861572 0.04 294.1093140 0.34 306.1557007 0.14 319.9055176 0.06 326.2208557 0.03 328.2009888 0.14 330.2394409 0.05 333.1818542 0.22 337.0087280 0.11 338.4000549 0.11 342.1918945 0.33 344.3309937 0.11 362.1448975 0.08 364.4345093 0.03 366.0825195 0.11 367.0812988 0.18 374.1600342 0.03 409.9615479 0.11 411.2707520 0.06 450.1986084 0.02 451.4674683 0.04 464.4709473 0.05 473.2828369 0.06 478.7288818 0.15 482.2329102 2.68 490.3230591 0.07 499.3323364 0.15 500.1220703 0.03 520.1382446 0.02 524.7256470 0.08 536.9436646 0.04 568.3660889 0.25 570.8562012 0.13 571.4741821 0.04 573.0376587 0.07 578.3602905 0.03 580.1788330 0.48 590.8341064 0.19 591.9581299 0.05 593.4036255 0.14 611.1819458 100.00 617.8723755 0.09 618.7329712 0.17 624.9091797 0.05 631.1405640 0.05 632.1078491 0.08 633.1644897 0.04 643.2864990 0.02 649.5999146 0.03 657.3456421 0.15 662.1972046 0.17 663.0173950 0.27 665.0482788 0.10 671.1776123 0.24 672.0155640 0.26 673.0363159 0.06 675.4648438 0.15 690.3278198 0.11 691.2211304 0.58 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 307.08 Annotation Unknow Peak:m/z Relative Intensity 102.1045227 0.18 109.1627808 0.07 111.9210587 0.10 126.9050980 0.25 127.9586716 0.22 128.8643341 0.11 129.9454956 100.00 130.9012756 2.01 145.1011047 0.18 159.1380310 0.11 160.2290039 0.12 160.9844666 0.18 161.9991455 0.79 166.1377869 0.13 174.8638458 0.18 176.9586487 1.33 178.9486389 3.02 199.2136841 0.36 205.2875977 0.89 208.9588928 0.38 210.9408875 1.18 212.1619568 0.39 218.1082458 0.28 229.0196533 0.07 231.1432190 3.90 232.9834900 0.87 233.5939941 0.30 235.1028442 0.76 238.1021118 1.05 242.5570374 32.08 243.2166748 5.90 244.1329956 0.35 245.0034180 0.93 246.4716187 0.88 248.5921631 0.15 250.8218994 0.26 255.3505249 0.24 257.1485291 1.27 258.0875854 0.70 260.5673523 1.67 265.0112000 0.45 267.2690125 0.33 269.6451416 49.87 270.8839111 0.34 272.3302612 0.38 275.5914307 46.71 276.2337341 4.64 277.1857300 0.18 278.6795654 2.19 280.6985474 0.11 283.5906372 1.02 284.2015381 0.17 288.1932373 1.29 289.1641846 3.00 290.1754761 1.43 298.7158813 98.67 307.0734863 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 758.4966 Annotation Unknow Peak:m/z Relative Intensity 249.1629181 0.01 260.9989014 0.12 281.0090942 0.30 283.2523804 0.01 299.0487671 0.02 301.5892029 0.05 332.2900391 0.01 337.0999756 0.01 345.1918945 0.07 364.3501587 0.10 371.7100220 0.06 409.2459717 0.04 415.1156006 0.01 428.6965332 0.07 429.4714966 0.05 441.4149780 0.06 442.4447632 0.11 470.6301270 0.05 488.5134277 0.02 502.9351196 0.04 504.0330811 0.09 506.2526245 0.05 513.0553589 0.04 526.8961792 0.04 542.4653931 0.06 543.3980103 0.01 546.0033569 0.02 563.5559692 0.04 582.1085205 0.12 583.9486694 0.02 591.4378662 0.13 597.3058472 0.03 619.2811890 0.01 625.4489136 0.03 626.2844849 0.08 632.3910522 0.03 639.3334351 0.03 651.2402954 0.11 684.9301147 0.12 689.9541016 0.39 690.6024170 0.02 697.3170776 0.07 704.4846191 0.02 713.7749634 0.90 717.3675537 3.20 718.5587769 0.08 720.0593872 0.02 720.8242798 0.13 722.1546021 0.13 723.0109253 0.85 724.2833252 0.06 725.7127075 0.33 726.3233032 0.28 727.5054932 0.06 735.5322876 0.05 740.8823853 0.50 742.7909546 0.31 746.4938354 0.43 747.2925415 0.03 749.9186401 0.56 750.7185669 0.02 758.5066528 0.08 786.3507690 0.15 808.5037842 0.03 830.8479004 0.09 831.7385864 0.06 833.6785278 0.21 838.2184448 1.24 858.0919800 0.05 862.2651978 4.27 862.9002686 1.88 864.3402710 0.03 866.7965698 0.20 867.8278198 0.15 869.5222168 0.02 879.4735718 0.04 887.2025757 0.43 891.2875366 0.48 892.3911133 0.91 894.0669556 0.40 895.8359985 5.26 896.4780273 10.81 898.5748901 2.57 899.2548218 1.16 899.8901367 0.10 900.8415527 0.18 902.6613159 10.19 903.3347778 100.00 904.7705078 0.78 905.9138794 0.32 906.9008179 0.15 907.6901855 0.71 908.5996704 0.09 909.3297729 0.05 910.1806030 0.14 911.4092407 0.05 912.4162598 0.03 913.1398315 0.07 917.3259277 0.01 918.0378418 0.13 918.8018188 0.09 925.8381348 0.03 928.8828125 0.09 932.3769531 0.07 933.0990601 0.23 940.7599487 0.03 1008.2876590 0.02 1027.2864990 0.02 1059.7618410 0.08 1089.4140620 0.04 1110.8439940 0.11 1116.9293210 0.21 1117.8354490 0.16 1118.7436520 0.07 1143.6142580 0.08 1144.2180180 0.03 1148.9349370 0.42 1149.6955570 0.64 1150.6325680 0.36 1151.7883300 0.06 1157.1698000 0.36 1157.8063960 0.03 1158.6171880 0.07 1172.1922610 0.14 1185.8109130 0.01 1204.4194340 0.02 1209.3708500 0.05 1213.9404300 0.08 1234.0961910 0.08 1274.4979250 0.03 1332.9920650 0.02 1351.6925050 0.06 1385.7681880 0.06 1412.8077390 0.09 1455.6618650 0.11 1533.6701660 0.05 1543.7342530 0.09 1618.3176270 0.07 1632.1202390 0.09 1654.2351070 0.03 1701.3873290 0.02 1707.3850100 0.05 1744.5500490 0.04 1759.8626710 0.02 1795.8082280 0.04 1832.0769040 0.02 1868.1239010 0.01 1895.4642330 0.05 1945.5573730 0.14 1955.4300540 0.06 1972.6319580 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1125.2916 Annotation Unknow Peak:m/z Relative Intensity 315.3044128 0.03 331.1970215 0.03 373.2584534 0.02 492.4971313 0.08 505.0302734 0.20 508.3501282 0.09 590.4666748 0.05 625.5608521 0.06 626.3825684 0.18 641.2353516 0.10 655.3510742 0.09 669.4938354 0.02 769.1235352 1.01 770.3433838 0.55 779.1406860 0.07 787.2615967 14.29 788.2573242 3.75 801.3851929 0.26 802.4337769 0.03 811.2722168 0.03 830.2664795 0.08 831.4554443 0.21 842.8017578 0.03 919.3566895 0.16 931.3111572 0.75 932.7106934 0.12 939.4672852 0.05 946.4476318 0.03 949.3885498 5.49 950.3470459 1.85 963.2972412 100.00 964.2576904 28.01 965.0059814 0.05 975.4260254 0.21 982.4071045 0.04 987.5972900 0.08 993.5394287 0.06 1005.2327880 0.92 1030.8173830 0.40 1107.4738770 0.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 307.046 Annotation Fulvic acid Peak:m/z Relative Intensity 86.9825745 0.07 96.9194794 1.80 98.8303451 0.07 111.0826874 0.09 112.8984451 0.41 127.0429382 2.39 128.1022797 0.04 133.9686584 0.24 137.0876465 0.03 149.0598450 0.96 151.0165405 0.21 155.0083313 0.64 160.8567505 0.15 169.0236664 0.10 175.0383911 1.25 176.1567993 0.53 179.2662354 0.06 185.9546814 0.15 191.1286926 1.82 193.2213440 1.39 201.0626221 2.08 203.4440308 0.14 204.1671448 0.41 205.1029358 0.05 207.0296936 0.13 210.2459106 0.03 217.1751709 0.18 219.1768494 1.61 225.1593323 0.11 230.0152588 0.21 233.0634460 100.00 235.1524658 2.82 236.3048096 0.05 243.1190186 0.05 245.0574951 4.80 248.0798950 0.54 254.3211670 0.12 261.1760254 0.65 263.1723022 16.82 265.1809387 0.05 266.3589478 0.13 269.3320618 0.13 271.1591797 0.04 274.0167236 0.17 277.0868225 0.09 289.0513611 47.58 289.6676636 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 537.1976 Annotation (+)-Cycloolivil 4'-O-beta-D-glucopyranoside Peak:m/z Relative Intensity 158.9851685 0.04 161.0467529 0.34 162.1590576 0.02 165.0372772 1.25 175.2371368 0.04 177.1553650 0.29 178.9844971 1.62 195.1029205 2.47 199.1340179 0.09 207.1390381 0.11 267.1401367 0.05 272.1316528 0.03 275.3416138 0.04 280.2093506 0.05 281.1417236 0.09 311.2908325 0.39 312.1079102 0.55 313.4835205 0.02 327.1880493 100.00 330.3442993 0.02 333.0068970 0.05 337.3897705 0.11 339.3646240 0.13 346.2394409 0.05 351.4671021 0.05 355.0134277 0.07 357.1958618 1.02 361.2608643 0.16 375.1244507 5.16 394.1773071 0.04 408.1588135 0.13 411.5350952 0.04 427.0930786 0.30 435.1555786 0.05 436.3565674 0.13 447.4673462 0.04 458.1433716 0.06 461.5349121 0.04 465.4419556 0.03 474.5338745 0.12 481.1375122 0.04 489.2421875 32.53 491.4219971 0.25 500.2603760 0.06 501.1806030 0.31 503.2551880 0.26 504.2243042 3.47 505.3475952 0.89 507.4091187 0.17 509.1215210 0.06 518.2212524 0.31 519.0746460 1.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1060.4275 Annotation Unknow Peak:m/z Relative Intensity 323.2281494 0.27 334.2118530 0.18 335.2042236 0.32 341.3220520 0.12 347.2904053 0.93 374.9129333 0.20 376.4890137 0.12 377.3404541 0.12 391.4716797 0.47 392.1772156 0.74 393.3442078 0.86 395.1975098 0.43 405.9384460 0.58 410.3512268 0.13 412.0649414 0.88 446.9779053 0.45 453.3148499 0.63 459.9246826 0.38 461.4471741 1.38 477.2135315 0.44 481.3377075 0.32 487.7153931 0.46 488.3630981 0.88 491.1632996 0.32 505.2327271 0.21 520.6345215 0.14 523.5892944 1.21 524.3503418 0.52 532.3728027 0.43 539.1198730 0.38 542.3205566 0.89 549.0227051 0.54 587.1649170 0.23 604.6048584 0.76 605.3659668 0.30 608.6380615 0.50 636.2630005 2.63 637.5965576 0.31 638.4743652 0.22 639.1220093 0.56 644.3961792 0.41 649.3824463 0.25 661.3626709 0.60 673.5612793 0.36 704.6054077 0.44 722.5871582 0.33 737.8493652 1.28 745.5859375 0.43 749.2212524 0.98 750.3493042 1.29 765.7833862 0.31 769.3725586 0.59 771.9338379 1.33 778.6450195 0.28 779.5834961 0.63 801.2198486 0.27 810.5092773 0.88 818.0034180 0.20 823.2813721 0.47 831.3702393 0.31 832.8964844 0.67 840.6920166 0.30 844.2178955 0.55 849.0574951 1.65 854.8560791 0.32 856.4886475 0.88 870.3928223 0.68 871.6944580 2.10 872.4997559 0.40 878.7830811 0.44 880.2847900 2.39 882.6334229 2.05 887.8129883 0.21 888.7124023 0.16 890.7550049 0.17 893.2440186 0.35 894.1096191 0.45 896.4187012 0.94 897.3283691 0.50 898.2769775 0.13 899.9311523 1.13 901.2155762 1.90 902.0914307 0.19 903.4654541 1.81 904.1502686 1.96 909.1906738 1.65 910.0211182 1.73 911.3437500 0.68 911.9868164 0.13 912.8023682 0.29 915.7575684 0.25 917.6423340 0.31 918.5991211 3.36 923.4512939 1.59 924.6500244 1.38 926.3156738 0.59 927.9093018 1.23 930.6137695 0.93 931.7401123 1.35 933.4739990 1.84 936.6323242 0.95 938.1910400 0.79 939.1082764 0.63 939.7611084 0.33 941.2821045 0.84 942.1900635 5.95 943.4664307 2.87 944.1298828 1.11 945.1441650 2.30 945.8936768 1.38 946.8183594 5.33 947.9404297 1.80 949.0421143 0.68 949.6433105 0.41 952.6711426 5.89 953.4243164 1.84 954.1121826 0.57 955.6635742 2.78 956.5426025 5.58 959.9625244 3.19 962.5251465 3.10 963.2570801 1.53 964.4580078 1.36 965.2116699 2.42 966.2108154 8.27 966.9685059 1.54 968.2924805 0.24 968.9895020 5.43 969.8000488 1.97 970.9179688 6.09 972.0537109 1.70 973.3585205 3.71 974.7291260 11.50 976.0946045 9.35 976.8352051 14.54 977.6992188 4.09 979.7515869 11.18 981.0395508 25.12 982.0336914 3.76 983.8166504 9.15 984.5588379 15.99 985.2763672 16.42 985.9799805 17.28 987.1734619 13.07 987.8616943 4.55 989.0053711 1.26 989.9516602 16.10 990.8682861 40.55 992.0156250 5.56 993.8046875 2.74 994.8621826 2.87 995.7789307 6.97 996.9931641 5.07 998.0484619 4.88 998.7426758 1.52 1000.1953120 4.21 1001.6386720 0.95 1002.5335690 7.20 1003.6156010 13.56 1004.5896000 1.66 1005.5711670 0.49 1006.2897950 7.86 1006.9793700 2.34 1008.8493650 100.00 1009.5546880 46.26 1010.5158690 1.52 1012.2521970 31.85 1012.9749760 14.14 1013.6269530 6.36 1014.2427980 10.45 1014.8475340 3.02 1016.3067630 4.65 1017.2973630 29.00 1017.9533690 10.97 1018.7365720 17.23 1019.6317140 2.59 1022.2509770 34.59 1023.2281490 69.93 1024.1521000 47.42 1024.9339600 0.46 1025.8474120 3.44 1028.0856930 89.01 1028.7091060 55.33 1029.3666990 12.28 1030.1450200 1.09 1031.3515620 0.48 1032.2995610 1.04 1033.9775390 1.36 1034.6925050 0.57 1035.4855960 1.96 1036.1199950 0.79 1037.3218990 8.78 1038.6265870 0.29 1040.2854000 10.96 1041.0109860 5.41 1042.8229980 2.56 1043.7006840 0.17 1046.1384280 37.12 1047.0671390 0.87 1048.8620610 8.07 1049.5972900 15.41 1050.4104000 5.76 1051.8875730 7.19 1070.6014400 0.65 1076.0123290 0.12 1078.1467290 1.11 1081.2587890 0.59 1082.7872310 1.21 1086.9249270 1.22 1089.9475100 1.44 1090.6274410 1.55 1091.7385250 0.37 1096.9960940 1.22 1099.3784180 1.72 1106.5380860 0.54 1108.2708740 0.71 1113.6386720 0.51 1121.5019530 2.12 1138.6845700 0.51 1142.7116700 0.84 1144.3828120 0.80 1146.0412600 1.61 1147.8426510 0.75 1149.0550540 0.86 1150.7263180 1.36 1151.7880860 0.92 1152.7790530 1.94 1154.7905270 1.22 1158.0504150 1.71 1158.7459720 0.51 1162.1025390 0.51 1166.2579350 0.81 1167.0068360 1.47 1167.9252930 2.11 1172.1031490 0.93 1182.0361330 0.67 1183.3549800 1.44 1186.0043950 0.41 1190.5578610 0.19 1195.2602540 2.38 1197.1239010 0.20 1201.7951660 0.64 1202.9854740 1.98 1207.9914550 3.06 1208.9127200 3.56 1210.0451660 1.41 1212.8732910 0.57 1216.4655760 3.52 1217.2751460 6.31 1219.3592530 1.00 1221.6401370 0.34 1222.4858400 0.11 1223.1730960 0.59 1230.3114010 0.17 1230.9461670 0.15 1234.4721680 1.27 1235.6856690 0.17 1238.7922360 0.52 1240.2409670 0.77 1241.7136230 0.70 1244.3668210 0.70 1246.5396730 0.22 1248.2435300 0.90 1251.1258540 0.34 1252.9194340 0.67 1253.5550540 0.65 1254.7248540 1.35 1258.7052000 0.54 1261.1065670 0.44 1264.0058590 1.47 1265.4890140 1.33 1268.2523190 1.27 1271.6331790 0.89 1272.6907960 2.49 1273.9213870 6.88 1277.7805180 0.72 1279.4445800 0.15 1281.0661620 2.09 1281.9833980 1.42 1288.9669190 2.58 1289.6018070 1.43 1291.2565920 1.55 1297.6909180 0.82 1300.5588380 0.23 1301.7924800 0.53 1309.3319090 0.17 1311.8436280 1.32 1314.2767330 1.19 1315.2464600 0.74 1316.7717290 1.41 1317.8780520 1.87 1319.0664060 0.40 1320.7568360 2.93 1321.5931400 2.45 1322.7468260 0.91 1324.2210690 1.29 1328.1856690 0.89 1330.4632570 8.50 1331.3839110 0.19 1337.9268800 0.99 1338.6831050 2.05 1339.5870360 0.34 1340.2923580 0.21 1343.0605470 1.00 1343.7249760 0.85 1345.1817630 3.00 1345.9803470 1.10 1346.6657710 0.53 1348.0994870 1.99 1351.6502690 2.86 1352.6512450 4.09 1353.6920170 1.01 1354.5570070 4.52 1355.4704590 1.21 1356.3386230 2.90 1358.4122310 0.91 1359.7072750 1.23 1361.9635010 3.02 1363.4188230 1.71 1365.6597900 0.78 1366.6065670 1.36 1367.2114260 0.16 1368.5806880 0.52 1369.3958740 1.22 1370.0609130 1.67 1371.1212160 0.37 1373.0893550 0.22 1376.5201420 2.19 1377.2797850 2.73 1378.5762940 9.97 1381.8420410 0.92 1383.6378170 0.81 1386.6594240 2.45 1387.4986570 0.11 1388.4217530 0.56 1389.6950680 2.85 1390.6593020 3.03 1391.6406250 1.02 1392.6519780 1.03 1393.8929440 1.60 1394.5568850 0.65 1395.5731200 3.54 1396.4908450 1.66 1397.8740230 0.55 1399.2940670 0.74 1400.8394780 0.86 1402.8604740 1.65 1404.0677490 3.59 1404.9156490 4.12 1405.8546140 2.95 1407.6325680 1.42 1409.0216060 1.57 1409.7435300 1.12 1411.2593990 3.54 1412.6490480 2.80 1413.4974370 1.21 1414.9974370 1.77 1416.5117190 2.67 1417.5915530 2.10 1418.9891360 0.69 1420.5814210 5.54 1424.6380620 5.25 1425.4915770 1.29 1426.5860600 1.71 1428.4468990 4.60 1429.3526610 4.36 1430.1217040 0.09 1430.9837650 2.76 1432.2360840 1.45 1433.5499270 2.14 1434.5859380 1.49 1436.2408450 2.19 1436.9285890 4.16 1440.0278320 0.65 1440.6776120 1.06 1443.5015870 1.93 1445.1163330 1.24 1447.6081540 3.13 1448.9071040 0.42 1450.1032710 4.50 1451.1503910 3.15 1451.7835690 0.90 1452.8264160 2.36 1453.6542970 0.18 1454.6429440 0.46 1456.8186040 3.32 1459.7442630 3.19 1460.3725590 1.97 1461.2834470 5.79 1462.1175540 5.19 1463.0445560 1.33 1464.2851560 3.04 1464.9361570 6.76 1465.9044190 1.46 1467.4080810 5.58 1468.4108890 4.65 1469.4777830 9.19 1470.5056150 1.83 1471.3334960 2.24 1472.2409670 0.41 1473.4704590 2.27 1474.2503660 8.04 1475.3204350 1.01 1476.9190670 3.26 1477.8261720 4.80 1479.1929930 0.74 1480.6491700 0.79 1481.2958980 0.22 1482.3399660 2.14 1484.8757320 25.47 1485.9597170 8.23 1486.6446530 3.34 1488.0750730 0.64 1491.8695070 2.78 1493.5159910 2.22 1494.6929930 0.85 1495.6123050 3.77 1497.2244870 0.25 1498.7647710 0.10 1499.6810300 2.63 1500.5645750 2.12 1504.1727290 2.33 1505.2320560 1.27 1507.3118900 1.22 1508.7681880 2.96 1509.8897710 5.52 1510.7664790 1.15 1512.6937260 1.39 1517.9647220 60.44 1518.6832280 12.03 1519.3314210 5.56 1520.1251220 2.63 1523.3024900 1.89 1525.0502930 1.04 1526.0308840 2.78 1527.4541020 0.51 1528.5634770 0.45 1532.3103030 2.09 1533.6887210 7.98 1534.7163090 8.61 1535.5035400 13.31 1536.6005860 0.41 1541.4271240 18.39 1542.3750000 19.67 1543.4085690 0.85 1546.9687500 0.50 1555.5528560 0.24 1597.1529540 0.35 1601.0388180 0.35 1614.8089600 0.78 1629.6452640 0.34 1648.7425540 0.27 1649.5443120 0.43 1687.4454350 0.38 1702.5147710 0.39 1718.6677250 0.34 1727.5218510 0.85 1734.6439210 0.17 1757.9675290 0.36 1765.2717290 1.06 1774.1024170 0.11 1775.6610110 0.38 1785.5432130 0.20 1798.9366460 0.20 1808.9367680 1.44 1823.2076420 0.11 1859.2561040 0.38 1865.4227290 0.49 1882.8865970 0.25 1885.6827390 0.47 1928.4263920 3.93 1977.9779050 0.28 1999.2642820 0.71 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0714 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 97.06991577 2.72 116.9253998 2.47 122.8960266 1.06 134.9403992 1.47 143.3135834 2.56 148.9753571 5.29 165.075882 1.47 166.8585663 0.89 175.2386169 2.04 183.3747864 6.50 189.1365051 1.98 192.9717255 8.21 195.2091827 3.99 207.0391388 21.26 208.2779388 6.56 209.3898468 17.46 214.8693848 8.93 215.8803101 2.82 222.0106201 12.81 223.1660004 14.64 224.2678833 0.90 233.0252533 7.63 235.2508698 3.51 251.0656891 100.00 252.0994263 28.53 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 555.3173 Annotation FR 235222 Peak:m/z Relative Intensity 188.9777374 0.06 241.1589355 0.01 282.1865845 0.04 327.4750977 0.07 343.2169800 0.03 415.4913330 0.02 433.5737305 0.03 451.3644409 0.83 452.4302368 0.16 460.4979858 0.01 467.1930542 0.02 491.3300171 0.24 492.3125610 0.03 494.5313110 0.03 508.0089722 0.02 509.4007568 100.00 510.3345337 11.39 511.1460571 0.02 518.1996460 0.02 538.4164429 0.02 555.0029297 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 563.2343 Annotation Unknow Peak:m/z Relative Intensity 160.7491150 0.02 175.0123749 0.13 193.3012848 0.05 221.0950470 0.05 222.8876648 0.03 227.2602844 0.07 257.3643188 0.06 267.2304077 0.19 269.2993164 0.02 275.2197266 0.04 292.8706665 0.05 305.2728882 0.08 306.1008301 0.10 311.2277832 0.10 312.1226807 0.13 335.0913086 0.17 355.3066406 0.03 385.3182373 1.22 389.4750366 0.04 391.4429932 0.04 393.2388306 0.10 402.2379150 0.15 403.2955933 0.23 407.0036011 0.02 419.2173462 0.05 421.5676270 0.03 444.1911011 0.10 445.4982910 0.08 471.8998413 0.06 476.1298828 0.07 477.2745972 0.02 484.3808594 0.03 485.4786377 0.04 489.0417480 0.05 502.3966675 0.17 503.0431519 0.02 505.2778931 0.17 515.4658813 0.07 518.2243652 24.48 519.3336792 100.00 520.5207520 0.18 521.3640747 0.22 529.5573120 0.06 533.2353516 0.88 533.9487915 0.02 536.9801636 0.11 545.2785034 0.02 546.2416382 0.27 547.4625244 0.17 550.3466187 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 464.8 Annotation Unknow Peak:m/z Relative Intensity 144.9913483 0.25 212.9228058 1.22 229.4642944 0.10 296.6420288 25.59 297.2660522 0.54 378.1649780 2.07 380.0315247 6.59 380.7195740 100.00 396.7059021 0.28 419.1582947 0.49 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 302.84 Annotation Unknow Peak:m/z Relative Intensity 128.9573822 0.97 201.3348389 0.22 218.8498535 100.00 240.1381226 0.03 241.1710205 0.09 256.8091125 0.65 259.1247253 0.02 284.1196899 10.54 285.2244568 0.37 288.2117310 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 537.1228 Annotation Patuletin 3-(6''-acetylglucoside) Peak:m/z Relative Intensity 346.2623291 0.07 361.1578979 100.00 361.7837524 0.34 373.3676758 0.01 403.5335693 0.03 427.4409790 0.03 457.0928345 0.02 498.4589233 0.03 505.2485962 0.02 519.3673706 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 693.3465 Annotation Scillaren A Peak:m/z Relative Intensity 199.1743164 0.02 200.0382538 0.06 201.2289124 0.04 205.1744690 0.03 207.8374939 0.08 210.3450012 0.15 212.1157074 0.21 213.0344696 0.03 215.2313232 0.09 217.1252747 0.45 219.0415649 0.03 221.3445129 0.05 223.2100220 0.09 225.0722656 0.13 227.2119904 0.03 229.0230255 0.01 230.2548370 0.08 231.1972351 0.04 233.2680664 0.08 237.6205902 0.10 239.3612061 0.10 240.1956177 0.06 241.1821289 0.10 243.0404663 0.06 245.1853180 0.05 251.5257416 0.07 252.2430420 0.10 253.3240509 0.07 254.1877899 0.02 255.1689453 0.42 256.2281799 0.03 259.4576721 0.08 261.1654663 0.20 263.2621155 0.07 265.2093506 0.58 267.3471680 0.35 268.2525635 0.03 268.9935303 0.22 271.1014709 0.12 275.1941223 0.09 277.2669067 0.09 278.4168396 0.06 279.0325317 0.04 281.1168823 0.07 283.1076965 0.35 284.6453552 0.28 285.2546997 3.40 286.2975464 0.24 287.2655945 1.42 289.2099609 0.03 291.1463623 0.32 295.6680603 0.23 297.2136841 0.13 299.1694946 0.29 299.9655151 0.03 301.0888672 0.77 303.1859741 0.11 304.2003784 0.06 305.3168640 0.19 307.4142151 0.02 309.3797607 0.11 310.3281250 0.12 311.2971802 0.16 313.1617737 0.13 315.2495117 0.55 316.2640991 0.03 317.2807007 0.15 319.2424316 0.42 319.9169922 0.04 321.4707642 0.06 323.7170410 0.03 325.2344971 0.11 327.7192383 0.05 328.3546753 0.02 329.3512573 0.08 335.3566895 0.18 337.2346191 1.37 339.6120605 0.09 340.3771973 0.01 341.2382812 0.19 343.4962158 0.04 345.5139160 0.14 347.0286865 0.10 351.4198608 0.22 353.3193359 0.27 355.2913818 0.36 356.6109619 0.12 357.2919312 0.19 359.4524536 0.05 361.2260132 1.26 363.8008423 0.02 367.3043213 0.07 369.2531738 0.10 371.1891479 0.25 373.2272949 1.26 373.9583130 0.03 375.1029663 0.02 379.6017456 0.11 381.3429565 0.48 389.3538208 0.21 391.4843750 1.81 393.5509644 0.07 397.1789551 0.09 397.7807617 0.06 399.3955078 0.91 405.3417358 0.04 409.4248657 6.76 415.5799561 0.04 417.5411377 0.06 425.5459595 0.08 427.3921509 19.94 439.4697876 0.11 441.4577026 0.03 442.2221680 0.06 443.5816040 0.11 445.3220825 100.00 445.9330444 0.46 455.6417847 0.06 457.3472900 0.07 459.2713013 0.22 463.3288574 0.01 464.7968140 0.03 466.0976562 0.03 467.5059814 0.07 472.3621216 0.02 476.4188843 0.02 478.3157349 0.35 483.1953125 0.12 484.2771606 0.03 487.1971436 0.09 492.3214111 0.07 495.3978882 0.09 496.5576782 0.08 498.4824829 0.06 499.3368530 0.04 500.5690918 0.10 504.2601929 0.26 505.6759033 0.14 508.3187256 0.11 510.2638550 0.22 512.1202393 0.04 514.6117554 0.10 517.0989380 0.10 522.2879639 0.18 524.3784180 0.11 527.6367798 0.06 528.2542725 0.32 530.3486938 0.19 535.1076050 0.05 536.2846680 2.08 537.4055786 0.23 538.3302612 0.05 540.1737671 0.21 547.3231812 0.17 549.5794678 0.05 551.3513794 0.03 554.2783813 0.22 560.3356323 0.05 564.7107544 0.13 565.6928101 0.03 567.1820068 0.10 568.4534912 0.33 571.5779419 0.07 576.3781738 0.10 579.2562256 0.15 580.3131104 0.03 581.4601440 0.17 588.1075439 0.05 599.2608032 0.80 600.5318604 0.08 607.2240601 0.37 609.4506836 0.03 613.3818970 0.89 615.3486938 0.23 617.3462524 0.18 620.0645752 0.11 621.2133789 0.07 625.3225708 1.86 629.3497925 0.13 631.3462524 10.47 632.3438110 0.26 633.3543701 0.13 634.2248535 0.09 635.4675293 0.11 639.1008301 0.16 639.8345947 0.04 643.2150879 11.45 644.1348267 0.05 645.6417847 0.09 647.3234253 0.12 648.4618530 0.05 649.2942505 0.34 650.4144897 0.02 651.3311157 0.12 657.3772583 20.33 658.3833618 0.12 660.3290405 1.29 661.2427368 10.98 661.8999634 0.35 664.3044434 0.10 665.2929688 0.18 675.2261353 73.34 676.2886353 0.28 692.7978516 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 519.0788 Annotation 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide Peak:m/z Relative Intensity 175.0090179 0.17 269.4494019 0.02 296.9429321 0.03 328.1882324 1.85 329.3168335 0.04 343.0780640 100.00 343.9435425 0.02 385.1900635 0.04 457.4126587 0.13 489.4440918 0.01 501.2343750 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 697.1408 Annotation Heliquinomycin Peak:m/z Relative Intensity 199.9820251 0.02 216.2894287 0.03 217.1777496 0.03 225.2584991 0.06 243.0882721 0.05 259.0881348 0.16 260.1456299 0.05 271.2189941 0.05 274.2183228 0.02 287.2583618 0.43 287.9202881 0.04 289.4345093 0.02 298.2246094 0.03 310.3323975 0.01 315.0977783 4.97 316.1407471 0.45 317.5148926 0.08 330.1378174 16.84 331.2083740 2.20 337.1608887 0.07 338.1793213 0.02 341.7359619 0.05 343.2348022 0.57 345.1414185 100.00 346.2180176 12.95 351.1782837 1.50 352.0920410 0.20 354.4519043 0.05 357.0379639 0.02 370.4760132 0.06 371.4064941 0.15 372.2373047 0.08 382.3603516 0.03 383.9799194 0.03 385.0772705 0.36 387.2615967 0.32 388.0311890 0.05 395.4564819 0.03 397.1846313 0.52 398.4149780 0.08 399.1935425 0.10 403.0878906 0.04 407.4194946 0.07 411.3174438 0.37 412.5712280 0.02 415.2051392 0.07 416.2346191 0.05 422.9541016 0.04 427.1298218 0.56 427.9450684 0.19 430.0374756 0.05 441.1634521 1.31 442.0917358 0.10 455.7446289 0.03 459.1171265 5.99 460.2360840 1.08 462.5690918 0.04 467.5590820 0.06 485.4639893 0.19 488.0062256 0.03 488.8529663 0.02 489.5845337 0.06 494.3762817 0.06 503.1362915 75.14 504.1564941 11.64 504.8361206 0.02 521.1330566 27.97 522.1851807 3.45 535.4542236 0.05 589.6854858 0.02 594.8541870 0.01 601.3451538 0.02 627.5364380 0.04 637.1057739 0.05 653.2874756 0.05 654.5136108 0.07 661.3143311 0.05 665.3462524 0.02 666.2473755 0.05 676.4991455 0.08 679.3139648 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 472.9246 Annotation Unknow Peak:m/z Relative Intensity 171.1989136 0.07 199.0062866 0.06 244.9109192 0.12 273.0722351 0.21 315.5169067 0.04 356.9345093 0.04 357.9213257 0.03 359.1278687 0.37 367.1108704 0.04 398.1345520 0.01 400.8890381 0.05 427.0001831 100.00 428.2878418 0.43 428.9609985 1.24 454.3006897 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1019.3799 Annotation Unknow Peak:m/z Relative Intensity 295.5068970 0.16 297.5050659 1.29 298.1273804 0.27 304.3345337 0.16 322.3201904 0.21 323.3561707 0.61 329.0484314 0.11 332.2184448 0.09 339.9522705 0.63 341.3950195 0.04 343.4765625 0.40 346.2361450 0.26 361.5044861 0.81 364.3825073 0.25 367.9485474 1.83 369.0315552 0.34 401.1885071 0.07 407.2840576 0.11 410.5225220 0.15 411.5216064 0.26 414.3953247 0.27 431.5150757 0.09 436.5192261 0.14 437.1360474 0.17 477.1620178 0.48 478.3159790 0.12 479.4730530 0.25 487.5867920 0.15 497.4535522 0.18 505.3631897 1.00 515.3826294 0.39 529.1907959 0.28 533.1046753 0.24 534.5036621 0.53 537.1990967 0.05 545.3132324 0.33 574.1225586 0.35 577.1756592 0.41 584.9394531 0.11 590.4045410 0.68 606.7473145 0.34 617.4328613 0.12 634.3162842 0.35 635.7088013 0.52 646.6210938 0.18 676.4093628 0.15 705.0140991 0.28 721.7650146 0.27 723.4196167 0.32 743.5682373 0.46 764.3999023 1.38 769.3016968 0.44 784.5393066 0.12 785.3154297 0.05 787.8677979 0.53 796.4100342 0.39 800.6970215 0.19 801.5841064 0.09 804.0129395 0.69 811.1622314 0.07 814.3842773 0.60 818.7644043 0.13 840.3161621 0.56 844.5426025 0.13 848.0688477 0.65 850.6876221 0.53 855.4990234 0.48 858.4931641 0.47 864.5085449 0.52 871.8619385 0.40 873.2991943 0.90 875.2119141 1.99 876.6738281 3.54 877.7155762 0.68 878.3227539 0.42 879.5346680 0.11 881.3917236 0.82 882.3297119 0.52 882.9436035 0.50 883.6306152 0.06 885.3557129 0.63 887.8366699 0.82 888.8244629 0.81 889.8773193 1.95 891.2207031 1.87 891.8767090 1.17 892.5499268 3.75 894.0758057 0.34 895.8190918 1.62 897.3575439 6.27 898.6641846 1.00 899.8156738 0.09 901.0411377 0.10 902.6502686 1.25 903.9121094 0.65 905.0223389 0.38 906.3403320 0.38 907.7307129 1.04 908.4427490 1.05 909.2102051 0.86 909.9652100 3.38 910.8941650 0.37 912.2464600 1.41 914.5274658 0.43 915.5841064 4.14 916.3615723 0.18 919.3876953 0.32 921.0714111 4.37 921.8187256 1.44 925.5142822 1.93 926.9285889 3.58 927.5854492 0.69 928.7580566 4.18 929.6398926 0.73 930.7363281 1.47 931.4188232 0.43 932.7866211 4.82 934.6042480 9.66 935.4414062 1.92 936.6134033 6.51 938.0170898 3.47 939.3585205 1.69 940.2618408 17.15 940.9184570 6.47 942.3311768 2.30 943.1958008 2.00 944.1672363 1.12 945.1052246 1.00 947.4385986 3.63 948.1850586 1.94 949.1705322 1.32 950.3452148 3.84 950.9868164 0.68 952.1197510 1.79 953.0876465 1.07 953.8945312 2.67 954.8134766 2.48 955.7341309 3.17 956.4763184 3.18 957.3956299 5.16 958.4061279 4.54 959.2558594 4.77 960.1849365 2.70 960.9484863 17.17 962.2514648 2.10 962.9206543 0.81 964.1884766 9.16 965.0330811 13.75 966.0703125 9.83 966.7612305 15.46 967.7380371 2.00 968.8999023 1.67 969.9669189 18.82 970.6109619 37.57 971.5852051 4.50 972.2967529 3.44 973.2165527 1.63 973.9000244 0.54 975.1777344 1.74 976.2305908 72.64 977.7015381 1.47 978.3171387 0.25 980.0998535 7.03 981.1328125 2.46 982.0722656 7.71 983.1269531 7.47 984.0975342 8.88 985.3229980 5.42 986.0407715 2.72 987.0565186 0.58 989.3244629 16.09 990.2496338 5.95 991.1013184 1.21 993.7065430 4.58 995.1533203 25.41 996.0726318 3.18 996.9731445 0.91 998.2208252 0.65 999.3798828 21.04 1000.3598630 7.51 1001.3109130 3.62 1002.3476560 19.40 1003.0452880 38.86 1005.0302730 60.86 1005.8994140 11.50 1006.9025880 2.22 1008.4794920 100.00 1009.4727780 7.23 1010.7259520 6.71 1011.7429200 0.94 1012.5888670 0.15 1014.1420900 0.49 1032.6818850 0.18 1034.1569820 0.06 1035.4508060 0.23 1037.4951170 2.56 1038.5225830 0.56 1039.7999270 0.29 1047.9780270 0.40 1049.4438480 0.20 1054.7021480 0.29 1058.9731450 0.39 1067.9659420 0.76 1078.9468990 0.16 1081.6217040 0.27 1086.1247560 1.15 1088.5295410 0.21 1089.5277100 0.16 1091.7014160 0.41 1111.2254640 0.33 1123.8081050 0.06 1125.4573970 0.77 1127.1354980 0.67 1131.0469970 0.30 1132.6262210 0.58 1133.9812010 0.56 1136.5603030 0.13 1138.0737300 0.46 1140.6157230 0.14 1143.3601070 0.94 1144.9666750 0.58 1146.1920170 0.33 1147.4846190 0.27 1148.2973630 0.35 1155.7470700 0.97 1157.5683590 0.30 1158.3455810 0.09 1159.1832280 0.38 1160.7387700 0.15 1163.9625240 0.53 1165.8109130 1.07 1166.6550290 0.62 1171.2827150 0.46 1173.6635740 0.44 1175.6425780 0.68 1177.5103760 0.43 1178.5305180 0.58 1181.6813960 0.79 1183.5195310 0.57 1185.7354740 1.77 1188.5380860 0.24 1191.9450680 1.63 1194.0357670 1.06 1196.5139160 0.51 1197.4858400 1.81 1198.6799320 0.24 1199.7565920 0.24 1201.7547610 0.18 1203.3450930 0.93 1204.4104000 0.94 1209.7694090 0.11 1212.1629640 0.22 1213.8203120 1.43 1214.9653320 0.74 1217.7163090 0.67 1220.0595700 0.92 1221.0628660 0.49 1223.9443360 0.95 1224.7351070 0.59 1226.0368650 0.29 1226.8668210 0.35 1229.1002200 0.79 1231.3510740 0.63 1234.5006100 0.78 1235.3305660 0.16 1235.9920650 0.07 1238.4370120 0.74 1239.1866460 1.03 1239.8410640 0.40 1242.1575930 0.12 1243.3015140 0.50 1244.1392820 0.13 1246.0443120 0.39 1247.0692140 1.05 1247.7841800 1.23 1250.3273930 0.63 1254.0051270 2.46 1254.7265620 1.27 1255.6926270 2.98 1259.2274170 0.78 1261.9077150 0.53 1263.6594240 3.17 1264.2617190 0.26 1269.5644530 1.27 1270.1770020 0.04 1271.3111570 3.17 1272.5242920 2.04 1273.8101810 0.24 1275.1749270 0.28 1276.2065430 1.44 1278.2705080 1.34 1279.9108890 5.00 1280.9541020 0.71 1282.2275390 0.52 1283.2834470 0.99 1286.8470460 0.72 1287.5576170 0.72 1288.8190920 0.49 1289.5537110 1.12 1290.5051270 1.12 1291.1733400 0.28 1292.0659180 0.74 1292.7882080 0.33 1294.8642580 0.40 1295.6687010 0.83 1296.7407230 0.49 1299.1182860 1.57 1300.9506840 0.90 1301.9943850 0.12 1302.8471680 3.41 1304.0329590 0.14 1304.7862550 0.57 1306.4084470 1.19 1308.9719240 0.74 1311.3126220 1.11 1312.0364990 0.70 1313.8198240 1.29 1315.0823970 0.94 1316.0769040 0.45 1317.0936280 0.98 1318.7142330 0.33 1320.2989500 1.04 1321.2402340 0.26 1322.4064940 1.95 1323.5621340 2.44 1324.8536380 1.63 1325.6734620 3.06 1326.3273930 1.91 1327.8991700 8.33 1328.9370120 2.47 1329.8720700 0.36 1330.9534910 2.38 1331.9375000 2.15 1333.1920170 1.91 1334.2769780 0.54 1335.2420650 1.39 1335.9766850 0.78 1336.8745120 8.44 1337.8317870 5.70 1338.4836430 1.74 1339.4444580 1.59 1340.3789060 0.27 1341.3426510 1.01 1342.7293700 1.10 1343.9116210 1.36 1344.6571040 1.85 1345.5887450 12.42 1346.4145510 23.22 1347.4873050 5.98 1348.7342530 1.40 1350.2554930 1.04 1351.0921630 2.67 1352.5898440 0.55 1353.5474850 0.99 1354.7384030 1.43 1355.6400150 0.33 1358.6491700 1.00 1360.0383300 1.06 1361.1368410 0.46 1362.2110600 1.30 1363.8305660 2.78 1366.7022710 0.48 1367.7564700 1.31 1371.8138430 1.01 1372.6165770 1.90 1374.1096190 1.49 1375.6215820 0.60 1376.8757320 1.45 1378.9808350 0.33 1381.1685790 2.42 1381.9201660 0.94 1382.5330810 1.24 1383.3997800 0.37 1384.1446530 0.84 1385.4276120 2.53 1386.2988280 0.82 1387.8160400 0.27 1388.4984130 0.54 1389.8233640 1.72 1390.9498290 1.15 1393.2043460 1.83 1394.0678710 0.56 1394.9584960 1.32 1395.6032710 0.76 1396.5714110 0.68 1397.3234860 1.01 1398.2305910 1.63 1399.4110110 2.20 1400.5726320 0.38 1401.2143550 2.72 1402.1619870 1.34 1403.5694580 1.22 1406.6851810 0.31 1407.4973140 0.14 1409.9615480 6.35 1411.0111080 3.24 1412.6877440 0.72 1413.6507570 0.22 1415.2998050 0.16 1417.2216800 1.32 1418.1508790 0.45 1419.3577880 0.75 1420.6737060 0.55 1421.4108890 1.30 1422.3691410 0.52 1423.2492680 1.73 1424.1624760 1.71 1425.3231200 0.48 1426.8338620 0.86 1427.4803470 0.30 1428.1424560 0.55 1428.9251710 0.33 1429.8454590 1.58 1430.5634770 2.99 1432.3215330 1.84 1433.4742430 1.09 1434.0955810 0.51 1435.3022460 0.38 1436.8559570 0.66 1437.5858150 0.48 1438.6361080 1.22 1439.6092530 5.60 1440.3345950 2.58 1441.1323240 0.53 1444.1910400 1.74 1445.1553960 2.31 1445.8748780 0.83 1447.3046880 7.73 1448.0838620 7.27 1449.2778320 0.34 1450.1459960 0.16 1452.6285400 0.95 1453.3491210 0.47 1454.3692630 3.71 1455.3179930 4.57 1455.9624020 3.82 1456.7877200 1.94 1457.5775150 0.96 1459.0047610 0.60 1461.8383790 1.86 1462.9700930 1.43 1463.5902100 19.02 1464.4859620 6.18 1465.4420170 0.79 1466.8470460 0.22 1469.2628170 0.22 1472.4147950 1.57 1473.3316650 3.30 1474.3271480 0.52 1477.2940670 0.86 1479.3551030 0.22 1480.8653560 0.86 1481.6805420 0.74 1485.7034910 0.30 1494.8566890 0.30 1495.4622800 0.29 1503.6656490 0.36 1515.9964600 0.19 1528.0000000 0.16 1549.9665530 0.32 1568.8375240 0.22 1582.7242430 0.27 1595.6363530 0.17 1634.7922360 0.18 1639.8463130 0.07 1649.8345950 0.27 1680.7659910 0.13 1688.6497800 0.12 1733.7061770 0.19 1753.0227050 0.09 1754.7181400 0.28 1793.7209470 0.41 1832.2883300 0.37 1890.7722170 0.40 1900.5662840 0.09 1905.0588380 0.31 1919.6706540 0.45 1965.6844480 0.44 1984.8747560 0.19 1991.8996580 0.22 1996.9774170 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 589.3127 Annotation Unknow Peak:m/z Relative Intensity 177.2285156 0.14 185.1730957 0.26 186.9112091 0.17 187.6459656 0.26 197.5466614 0.13 199.3307648 0.18 200.1263275 3.96 201.1570587 0.10 202.0836945 0.10 207.1215210 0.17 208.2713623 0.08 211.1826782 0.13 216.2620239 0.08 216.9590912 0.08 220.6585083 0.07 226.0372009 0.44 228.0700378 1.74 229.1764526 0.13 229.9849701 0.14 233.1560669 0.25 237.0701294 0.06 243.1220398 0.12 245.0996399 0.49 247.4672546 0.09 252.2872009 1.19 254.2864532 0.07 278.3132019 0.05 279.8257446 0.34 281.2565918 0.10 285.2096558 0.06 286.8833923 0.16 294.2517090 0.12 295.2269287 0.82 299.0867310 0.06 303.9840698 0.10 306.2178955 0.12 307.3501587 3.18 308.4430542 1.83 309.3547974 0.10 313.4170227 0.46 321.2409668 0.44 322.2347412 0.95 323.2875977 0.22 324.3786621 0.28 325.2359619 0.59 326.2280884 0.41 327.2491455 0.18 331.4450073 0.30 333.4223633 0.49 337.2361450 0.13 339.2813721 3.63 341.1307983 0.07 346.1438599 1.02 348.3908081 24.75 349.3954468 0.11 350.0446167 0.06 351.3019409 0.30 352.5590820 0.13 353.9901123 1.09 355.3339233 0.33 356.5059204 0.74 357.4207764 1.38 358.4337769 0.08 362.2352905 0.39 364.8231201 0.42 366.3198853 0.16 367.3703613 0.21 368.9691162 0.08 370.9251099 0.12 374.4688721 0.10 380.2510376 0.29 383.2618408 2.77 384.3198242 0.29 385.2407837 0.58 387.2272949 0.16 396.7836914 0.44 403.1792603 0.24 410.7968750 0.24 411.5660400 0.10 414.3072510 0.47 415.2650146 0.31 418.3629150 0.09 419.0927734 0.10 427.1600342 0.44 432.4625854 0.30 434.0862427 0.13 435.2433472 0.31 437.1592407 0.11 441.4321899 0.94 442.2168579 0.44 443.1656494 0.92 444.4678345 0.06 452.2001343 0.57 454.4758911 0.13 455.2019043 0.10 460.6721191 0.39 462.3042603 0.99 463.3775635 0.34 467.0359497 0.43 469.5567627 1.36 473.2045288 0.78 474.1153564 0.24 475.4121094 0.14 480.4016113 0.96 482.4606934 0.14 487.4126587 0.42 488.2810059 0.51 491.9846191 0.48 496.5760498 0.22 497.7293091 0.32 500.8087769 1.87 501.7139893 1.13 503.3900757 0.48 504.4544067 1.23 509.1104126 0.19 509.9616089 0.28 511.4213257 1.19 512.4631958 0.17 513.6532593 6.06 514.4368286 1.11 515.6163940 0.44 522.3409424 1.57 523.6009521 0.08 524.3748169 0.62 526.4027710 0.32 527.1914062 0.60 528.8340454 2.94 529.4879150 0.05 531.3841553 0.86 532.9929199 23.70 534.3074951 1.07 535.6742554 0.66 536.4431763 0.15 537.2238770 0.37 539.2130127 1.60 540.4451294 7.98 541.4127808 1.43 542.2257690 0.69 543.4699707 0.19 545.0005493 6.83 547.8737793 1.09 550.9274292 0.70 552.1353149 0.36 554.2477417 3.02 556.7997437 0.28 557.9545898 0.64 558.6271362 0.05 559.5480347 0.61 560.5729370 0.47 561.3233032 0.62 563.4099731 1.16 564.2302246 1.02 565.2070923 1.01 567.8518677 0.14 569.6005249 0.62 570.7019043 0.40 571.6062622 0.34 574.6213989 0.38 576.0595703 2.94 578.2359619 2.60 580.2348633 2.01 581.1266479 6.45 582.8811035 0.21 584.1978149 0.10 588.8192749 0.21 590.3146362 0.42 592.0787964 0.60 596.0181274 0.10 598.2783813 1.19 599.6611938 0.37 600.4267578 0.28 601.7891235 0.67 602.7731934 0.40 608.4838257 0.16 610.1131592 0.29 610.9929810 0.20 613.4406128 0.39 615.5394897 0.34 616.5359497 0.93 621.2377319 3.36 622.0614624 0.11 623.0662231 0.09 624.0128784 3.05 624.7840576 1.92 626.7230835 0.16 628.8539429 0.19 630.1636963 0.43 632.4339600 0.41 635.0225220 3.84 639.0178223 1.78 639.9049072 0.31 641.9351196 2.33 643.0898438 0.38 644.5040283 1.59 646.0564575 0.30 648.9165649 0.75 652.9407349 3.85 653.6294556 3.98 655.1236572 0.89 657.1427612 1.14 658.2719116 1.21 661.5467529 6.11 662.4822388 1.33 663.4387817 1.22 664.5504761 0.48 665.6289062 4.73 666.9020386 6.14 667.6055298 100.00 669.0728149 0.41 670.0591431 0.08 671.3886108 0.11 672.6167603 0.07 673.4911499 0.14 677.4779663 1.57 678.5120239 1.18 679.6173706 0.45 680.9744873 0.92 681.5974731 0.16 685.5579224 0.51 686.7626343 0.96 689.7308960 0.33 691.8712158 0.41 692.8723755 0.16 695.4483032 24.56 696.5679932 7.70 697.4882202 1.29 698.8660278 0.72 700.6113892 0.78 704.0870972 4.69 705.0889893 0.55 705.8479614 0.08 706.9863892 0.21 709.0462036 2.45 710.1591187 38.15 711.1537476 0.47 711.9607544 0.43 712.8745728 0.24 717.1140747 11.83 718.0967407 2.55 719.9557495 1.37 720.6608276 2.02 721.3390503 0.28 722.1041260 0.05 722.8799438 1.06 724.9852905 1.46 726.4484863 0.12 728.9172363 4.25 729.5923462 1.18 730.3767700 0.22 734.0921021 3.50 734.8945312 1.48 736.1223755 0.48 737.7080688 24.36 738.9058228 4.63 740.0485229 0.32 741.0070801 0.10 744.4172974 0.06 746.7249146 0.22 750.6572266 0.20 751.5733643 0.09 755.9888306 0.55 756.6503296 0.24 758.7022095 0.36 760.5104980 0.16 763.7762451 0.54 766.3193970 1.08 770.0264893 0.26 771.1688843 0.43 772.1821289 0.36 773.5109863 1.02 774.7498169 0.43 775.6596680 0.27 778.7920532 0.91 779.5807495 0.27 780.8837280 0.39 788.3164062 0.53 789.3236084 0.33 804.6129761 0.16 805.8115845 1.06 808.1796265 1.42 809.1463013 1.23 813.5040894 0.99 814.2315063 0.36 815.1146851 0.15 816.4247437 3.20 817.0939331 1.26 817.9246826 0.21 820.5126343 0.91 821.7686157 4.45 822.6672974 1.72 825.2703247 3.09 825.9928589 0.23 827.3615112 0.43 830.7655029 39.24 831.6431274 9.20 832.8156128 0.62 836.5354004 0.31 837.6298828 0.16 840.1846313 0.19 845.7272949 0.92 866.3347168 0.58 866.9599609 0.36 882.5668335 0.13 883.8014526 0.30 888.5314941 0.57 903.0675659 0.16 905.0337524 0.63 905.8948364 0.77 910.8389282 0.23 913.7434082 0.73 914.6473999 0.64 919.7708130 0.26 921.4653931 0.37 922.7133789 5.80 923.6699219 3.74 924.3574219 0.32 929.1120605 0.25 930.2023926 0.49 931.8178711 0.84 933.2683716 0.15 938.7826538 0.22 951.7746582 0.33 952.4973145 0.95 955.9523315 0.31 973.7106323 0.51 974.8297729 1.53 975.5536499 0.19 977.8862305 0.06 983.5819702 0.21 986.6704102 0.88 987.3505249 1.97 996.7836304 0.10 1000.1984250 1.32 1001.1917110 1.10 1007.8789670 0.21 1010.5895390 0.37 1025.6623540 0.72 1026.7458500 0.49 1030.8311770 0.26 1031.7291260 0.14 1061.6005860 0.07 1063.9744870 0.08 1074.9885250 0.21 1100.8259280 0.13 1102.9678960 0.25 1104.0751950 0.18 1118.6407470 1.20 1119.8710940 0.24 1136.6704100 0.20 1137.8603520 0.29 1139.5473630 0.26 1225.6927490 0.10 1229.9947510 0.23 1246.7178960 1.44 1247.4774170 0.21 1248.8099370 0.47 1258.6094970 0.16 1261.3056640 0.30 1268.1180420 0.24 1272.2409670 0.11 1277.2750240 0.20 1278.8218990 0.06 1304.7032470 0.64 1305.7202150 1.01 1306.9174800 0.25 1310.8729250 0.06 1342.5904540 0.14 1390.2816160 0.32 1432.6823730 1.95 1433.7462160 1.40 1434.3472900 0.05 1435.3292240 0.20 1436.0568850 0.07 1456.6298830 0.32 1460.6123050 0.20 1469.6346440 0.07 1502.7767330 0.28 1507.8116460 0.34 1533.6364750 0.17 1575.0118410 0.33 1617.7896730 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 459.1505 Annotation Methyl salicylate O-[rhamnosyl-(1->6)-glucoside] Peak:m/z Relative Intensity 131.9563904 0.99 133.8663483 8.31 134.9055939 0.96 145.1215668 0.20 148.8864288 1.69 158.2352142 0.12 160.0306549 11.70 161.0996857 2.31 162.0766144 0.17 172.9343872 0.39 174.9956360 39.29 176.0823364 6.55 178.0684357 2.18 179.0745544 0.56 187.1670990 0.35 191.1289978 1.39 193.0075684 100.00 194.0119171 17.82 195.0472565 0.20 196.2975311 0.14 203.0511780 0.19 204.3509521 0.09 206.2142334 0.14 207.0301819 0.84 217.0634003 0.68 218.2328033 0.37 221.0362854 0.37 222.1392670 0.20 235.1459351 16.06 236.1049194 3.00 236.9831848 0.07 243.9699707 0.08 247.1062012 0.14 251.2054749 0.17 256.3637085 0.14 257.1809998 0.13 259.2131958 0.06 265.1158752 7.45 266.2028809 1.41 277.1365662 0.25 278.1994934 0.17 279.3700256 0.31 280.1309509 0.20 281.4054871 0.12 283.2428589 1.27 284.1853638 0.27 295.1474304 5.21 296.1772461 1.58 297.3394165 0.36 306.1989746 0.15 309.2984619 0.34 337.1250916 6.93 338.1174927 1.32 339.1526184 0.05 343.3541260 0.05 355.1363525 0.99 356.1456299 0.17 370.8119202 0.09 372.4037781 0.23 373.1825562 0.06 374.6386414 0.06 383.1032104 0.08 398.4607239 0.24 408.2731628 0.11 413.3025208 0.09 414.4602356 0.04 415.3826599 0.18 416.5113220 0.10 423.4723816 0.07 426.3537903 0.17 429.2825317 0.66 430.2824402 0.30 441.1022949 0.24 442.4277039 0.06 444.5619202 0.74 445.4167786 0.34 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 604.3537 Annotation Unknow Peak:m/z Relative Intensity 175.1601562 0.12 176.9225311 0.08 189.0712280 0.03 194.9887085 0.07 198.8122406 0.06 202.8176117 0.02 216.8889160 0.06 219.1158447 0.04 221.2451477 0.08 229.0405121 0.04 238.8373108 0.03 239.6153107 0.05 243.4063416 0.05 260.6098022 0.04 261.2189331 0.12 264.9194336 0.09 283.2450867 0.26 285.1428223 0.03 287.2772827 0.05 289.8848877 0.05 293.1799316 0.03 296.1096191 0.01 303.3554688 0.09 304.9483032 0.27 305.6674194 0.05 307.0056152 0.02 309.2860107 0.22 327.2708130 0.11 328.6767578 0.02 331.5136719 0.18 333.1482544 0.09 336.5253906 0.04 339.4534302 0.02 340.2747803 0.06 340.9485474 0.05 343.9819336 0.02 349.1458130 0.35 350.8305054 0.01 353.3345947 0.02 355.2266846 0.04 357.0726929 0.09 358.2807617 0.02 359.4939575 0.03 367.1763916 0.17 371.3462524 0.09 374.8564453 0.05 375.5439453 0.07 376.9636230 0.02 388.2215576 0.02 393.1662598 0.62 395.4410400 0.03 409.5115356 0.07 411.3353271 0.02 413.8003540 0.06 417.3919067 0.05 419.4495850 0.11 425.4744263 0.04 431.3351440 0.09 437.2285156 0.78 442.2872314 0.03 443.3010254 0.05 455.3342285 0.18 457.2440186 0.09 460.6426392 0.01 463.3968506 0.10 471.1595459 0.08 472.4522705 0.26 481.2565918 0.79 481.8775635 0.06 487.5071411 0.02 488.9779053 0.03 495.1442261 0.07 499.3504639 1.15 501.5256958 0.03 505.7833862 0.06 506.9221802 0.04 508.5803223 0.07 521.6334229 0.03 523.9018555 0.12 525.3527222 0.49 528.8284912 0.90 530.4408569 0.15 533.4167480 0.44 537.8873901 2.00 538.4967651 0.41 543.3267212 0.90 544.7877808 0.05 554.4138794 0.01 559.6493530 0.10 563.2442627 0.09 569.1617432 0.74 570.1755371 0.14 571.2288818 0.03 587.3694458 100.00 595.4500122 0.15 603.5314331 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 341.0725 Annotation Unknow Peak:m/z Relative Intensity 101.0245819 0.78 102.8553543 0.18 106.6723938 0.09 112.9962616 3.58 118.9758301 3.62 130.9146729 3.11 143.0063782 2.45 148.9865265 100.00 160.9181519 5.36 177.1933746 0.17 178.9442139 31.03 213.3799438 0.06 221.0589905 0.75 235.1118164 1.90 236.0879517 0.18 238.0505371 0.14 238.9594421 0.35 243.1396790 0.21 247.2441101 0.13 251.0693054 0.44 256.1734924 0.07 261.3298035 0.39 261.9395142 0.13 265.2385254 0.37 267.1353149 0.95 268.1599731 0.11 276.8157349 0.49 278.1676636 0.12 280.2959900 0.22 281.2017822 0.94 291.1543884 0.21 293.1951904 0.33 294.4837646 4.15 295.0969849 10.09 296.0578003 0.49 297.5225220 0.32 304.2736206 0.25 305.2063904 0.12 306.3316650 0.25 322.4053650 0.09 323.1572876 3.48 326.2749634 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 613.16 Annotation Oxidized glutathione Peak:m/z Relative Intensity 178.0805969 0.08 179.2113342 0.03 182.0875854 0.16 205.0736694 0.09 209.1207581 0.18 211.0210876 0.85 213.4668274 0.08 218.2559204 0.08 225.1102600 0.13 230.9366150 0.28 235.0314484 0.29 238.9596558 0.04 241.2523499 0.11 250.7732849 0.07 257.0464478 0.10 269.0061646 0.66 271.1800232 0.06 285.2543335 0.04 287.0501709 0.06 288.2176514 0.51 290.5548706 0.06 294.7269897 0.11 296.3687134 0.05 298.1322632 0.22 298.8177490 1.14 300.0540771 0.03 301.1196899 0.06 305.3268127 2.64 306.2503052 0.21 308.3970947 0.65 315.3331299 0.13 315.9820557 0.07 317.3676147 0.10 318.1917725 0.13 319.3436279 0.05 322.2477417 0.09 324.1310425 0.12 324.8209229 0.04 335.2128296 0.19 337.2490234 0.28 338.1570435 0.35 342.1611328 0.09 347.1511230 0.29 355.0936890 65.99 356.0173950 0.02 361.3190918 0.07 363.1573486 0.04 365.3032837 0.10 371.4495850 0.12 374.0778198 0.27 375.1915283 0.09 389.1320801 0.06 391.3933716 0.15 406.9794922 0.04 409.2368164 3.80 421.2091064 0.71 431.0115967 0.48 431.8831787 0.10 434.4525757 0.12 435.4599609 0.06 437.8518677 0.04 439.1437988 0.21 441.7567749 0.13 443.4281616 0.19 445.3105469 0.10 448.3508301 0.04 450.2893066 2.05 451.3843384 0.55 452.2052612 0.14 463.0651245 0.05 466.1720581 4.51 467.3860474 0.11 474.2933350 0.28 476.5564575 0.03 479.7453613 0.03 480.3701782 0.36 481.5483398 0.34 484.1535034 100.00 484.7745972 0.33 489.0995483 0.12 493.4118652 0.43 494.9735718 0.04 496.4001465 0.05 506.5550537 0.08 520.4469604 0.31 525.4631348 0.07 527.3046265 0.08 537.5231323 0.26 538.2813110 3.07 543.3047485 0.05 550.4166870 0.10 551.7555542 0.08 553.1005859 0.05 558.2322388 0.03 560.4594727 0.53 564.3058472 0.10 567.4826660 0.51 569.4751587 0.13 570.8139038 0.04 576.4764404 0.42 577.5022583 0.29 578.3708496 0.07 580.3819580 0.21 594.1400757 0.49 595.2392578 20.91 596.1096191 0.10 599.6476440 0.15 604.2482300 0.63 605.0615845 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1091.4922 Annotation Unknow Peak:m/z Relative Intensity 479.1106567 0.01 487.3379517 0.05 557.3656006 0.04 655.5740356 0.02 679.2644043 0.03 687.8476562 0.03 717.3992920 0.04 731.4587402 0.13 732.1392212 0.02 739.2882690 0.12 749.5912476 0.09 753.0270996 0.11 753.6427612 0.18 765.3781738 0.03 766.4386597 0.02 778.1945801 0.02 796.6134033 0.05 835.8110352 0.02 855.8862305 0.13 867.3801270 0.01 871.6043701 0.07 893.0163574 0.01 896.5125732 0.04 897.6116943 0.48 901.5616455 0.02 911.4550781 0.47 913.5903320 2.55 915.4291992 100.00 916.2105713 0.41 928.5097656 0.18 929.4395752 0.32 948.4381104 0.04 955.7695312 0.01 957.4783936 0.05 958.6052246 0.03 959.5256348 0.05 964.7941895 0.02 970.2032471 0.01 994.3576660 0.01 1001.4072270 0.08 1011.4478760 0.08 1015.8111570 0.06 1029.5371090 1.17 1031.5057370 0.07 1037.1668700 0.05 1047.6281740 0.07 1055.0064700 0.02 1055.7504880 0.06 1058.0762940 0.06 1072.8293460 0.30 1073.4578860 2.76 1074.0697020 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 316.2838 Annotation Dehydrophytosphingosine Peak:m/z Relative Intensity 90.9145126 0.30 95.0011749 1.78 95.9845428 0.37 97.0519333 0.15 102.0806732 0.35 104.9277344 0.13 106.9766769 0.44 108.9719772 1.67 109.8945770 0.15 111.1181259 0.12 112.9382935 0.12 119.1697845 0.10 121.0833130 1.31 123.1094284 0.54 124.2364044 0.93 125.0560837 0.33 128.3930206 0.11 130.0527649 0.12 133.0543671 0.87 135.0598450 0.98 137.1233826 1.57 141.0832825 0.27 142.0776978 0.19 147.1123657 0.98 148.2254333 0.05 149.1720581 0.79 151.0979767 0.89 152.0720520 0.27 155.0140991 0.48 156.1291199 0.43 161.2516785 0.33 162.1151428 0.05 163.2707672 0.28 165.2643433 0.25 168.8756561 0.22 173.1860352 0.15 174.5590210 0.06 175.2039795 0.50 177.0137787 0.85 178.1106720 0.40 179.0748444 0.11 181.8222351 0.08 186.0246582 0.08 186.8713837 0.15 188.0535278 0.21 189.1691742 0.27 190.9056396 0.38 191.6348419 0.08 197.2532043 0.09 198.0744934 0.44 200.0118713 0.15 209.1342163 0.87 210.1861877 0.09 211.6159058 0.77 219.0789795 0.36 221.1072083 1.87 226.0653076 0.21 227.2908325 0.25 231.3028259 0.22 232.2677612 0.08 233.3037415 1.85 236.9251709 1.13 238.1533203 0.26 239.2110596 2.16 242.1038818 1.67 245.3174133 4.64 249.3954468 0.24 250.2955017 2.72 251.2323303 2.82 252.0836792 0.52 253.1248474 0.89 255.0810547 0.05 256.2102051 0.42 260.3800049 0.28 262.3875732 5.37 263.2695312 1.71 267.0238953 0.68 268.2213745 2.33 270.0104980 1.05 270.9790649 0.05 273.1044006 0.25 274.1155396 0.30 274.8484802 0.75 280.3132935 60.19 281.1873779 1.28 285.0507812 0.91 287.4258118 0.25 288.0498962 0.15 291.8128662 0.21 298.2717590 100.00 299.1145325 3.82 302.2049561 0.19 307.2959595 0.82 316.0910645 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 657.256 Annotation Ixerin P Peak:m/z Relative Intensity 190.3090363 0.10 194.2165680 0.05 222.2131195 0.06 223.3687592 0.10 242.0779572 0.02 243.4431915 0.04 253.2428894 0.13 255.3203735 0.18 257.0117798 0.16 261.9880981 0.02 263.1443481 0.07 266.3950500 0.12 271.3318176 0.04 279.5480957 0.12 281.2322998 1.29 282.3891602 0.07 283.1268005 0.35 293.1711426 0.18 295.2269592 0.29 297.2250061 0.07 299.1372070 0.07 301.2109985 0.85 309.2793579 0.05 311.2034912 0.16 313.3075562 0.04 316.3797607 0.05 321.3146973 0.02 324.6729126 0.02 325.2742004 0.34 327.1550293 0.09 331.1253052 0.03 334.2289734 0.05 340.8652954 0.02 343.1921997 0.10 351.3435669 0.06 355.3544922 0.30 359.4934082 0.06 360.3571777 0.03 369.1502075 0.23 371.3353882 0.04 372.3049316 0.20 373.3384399 0.15 384.4285278 0.06 390.2085571 0.03 400.3746948 0.16 401.5469971 0.04 402.3785400 0.11 404.2097168 0.03 414.1605225 0.60 415.3502808 0.03 416.2941284 0.09 417.3524170 0.18 418.3883057 0.08 419.2807617 0.06 432.3729248 0.02 433.1810913 0.02 440.4203491 0.03 445.1949463 0.28 446.2114868 0.43 449.2124634 0.04 450.5508423 0.06 453.2281494 0.07 457.1943359 0.08 458.2921753 0.74 459.5504761 0.47 460.3422241 0.89 462.4348145 0.20 464.5828857 0.07 465.7009277 0.19 467.5874634 0.04 469.3393555 0.09 472.4770508 0.05 477.3068848 0.16 481.1350708 0.09 485.3663330 0.09 487.4166260 0.10 489.4849854 0.27 490.3865967 0.93 491.3792114 0.14 492.5564575 0.08 493.5233154 0.16 495.2999878 0.44 496.1208496 0.08 502.3269043 0.51 503.3141479 0.57 506.7689819 0.02 509.4043579 1.01 512.1577759 0.05 513.3167114 0.84 515.1685791 0.03 516.5297241 0.04 519.3455200 0.05 521.2394409 0.54 522.2705688 0.36 534.1138306 2.45 535.3720703 0.86 537.3504639 7.97 539.3068237 1.74 540.3306274 0.15 541.2829590 0.05 552.1381226 0.17 553.2923584 6.42 553.9865112 0.03 557.3717651 0.37 561.5109863 0.17 563.2700806 1.20 565.4316406 0.09 567.3843384 0.05 569.4187622 0.11 573.3609619 0.12 576.3881226 0.11 578.6030884 0.21 579.4002075 1.84 581.3101196 37.41 582.1810913 0.02 583.0668335 0.10 584.1613770 0.33 585.4511108 1.64 595.4371948 0.30 596.1705933 0.09 597.3303223 2.03 606.6580200 0.62 607.3000488 8.26 611.0796509 0.10 612.5286865 0.76 613.4089966 3.94 614.1790771 0.13 619.3657837 0.25 621.4266357 0.07 623.0638428 0.03 625.2964478 100.00 625.9285278 0.39 627.1882324 0.02 628.0026855 0.07 629.3847046 1.92 635.3592529 0.06 638.1531372 0.07 639.3833008 0.73 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0851 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 77.03316498 0.38 102.7892456 0.31 109.0479126 0.38 122.9445953 1.56 128.9976196 5.64 140.882431 0.61 147.0036163 0.85 149.0396729 0.31 150.9495544 100.00 152.0722198 5.78 154.1000214 2.12 166.000412 2.26 167.1637878 0.69 168.9650879 1.39 178.0507965 1.23 178.943161 7.62 182.220993 0.49 183.1399994 0.44 185.1344147 6.56 193.9157867 2.59 197.0271912 4.19 225.1701202 6.06 226.361084 1.16 238.0812988 8.29 238.9645233 0.71 251.1159515 4.45 253.0908661 66.50 254.0695648 4.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 517.19 Annotation Jioglutoside B Peak:m/z Relative Intensity 149.0159302 0.06 157.0175323 0.51 160.9269867 0.23 174.8857269 0.33 179.1141968 0.29 187.1735992 1.07 188.1020050 0.10 189.1959534 0.78 203.2107391 0.18 205.1589966 2.13 207.0830383 0.23 223.1663513 0.38 230.9574585 0.31 241.3605652 0.05 249.0840454 11.15 258.3506165 0.11 265.2226562 0.04 267.1239624 100.00 290.4125977 0.02 291.9712524 0.06 309.0714111 0.60 311.3602905 0.07 323.0586548 0.16 331.2020874 0.04 336.9863892 0.42 341.2272339 2.77 355.5229492 0.38 375.2651978 0.54 388.1930542 0.08 429.3086548 0.17 437.2326660 0.10 438.8884277 0.04 455.3529053 4.25 457.2496338 8.86 462.0678101 0.12 471.3957520 0.07 473.4191895 1.62 480.4736938 0.30 481.3032837 0.44 484.3674927 0.18 490.3963013 0.11 499.2348022 12.63 499.8457642 0.05 508.0862427 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1067.325 Annotation Veranisatin B Peak:m/z Relative Intensity 303.2889709 0.13 315.0791321 0.22 316.1698303 2.35 323.2039795 0.17 327.3911438 0.04 331.1772156 10.05 333.4013672 0.05 339.0086975 0.18 357.1799927 0.16 372.9314270 0.09 381.1686096 0.11 387.1023560 0.05 407.0665588 0.05 410.9333191 0.43 453.4666138 0.02 464.9961853 0.08 477.2142334 0.13 483.2689819 0.16 487.5862732 0.09 495.2408447 0.42 511.1643982 0.18 513.3673096 0.11 555.2116699 4.76 563.2863159 0.12 572.6129150 0.41 573.5958862 0.35 591.3887329 0.19 615.1669922 0.04 631.1292725 0.23 637.2347412 1.79 640.2621460 0.17 655.3275146 100.00 675.2876587 0.04 697.0422363 0.24 717.2626343 0.05 735.4136353 10.97 817.7398682 0.03 831.2728271 0.07 843.2977295 19.61 869.4497070 1.48 887.2800293 86.89 890.4814453 0.19 905.3172607 0.22 941.6213379 0.05 945.7271729 0.28 999.9160156 0.13 1021.0310060 0.21 1034.3774410 0.08 1035.1276860 0.27 1036.3129880 0.03 1049.2603760 0.66 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 362.9969 Annotation Unknow Peak:m/z Relative Intensity 110.8944092 4.83 115.0124435 0.01 124.9290771 0.03 129.0478058 0.09 131.0357056 0.04 132.9240570 1.11 148.9537964 0.05 155.0414581 0.09 171.0452576 0.16 173.0190582 1.01 175.0440369 0.11 190.9852448 100.00 191.9708862 0.05 199.1234741 0.02 207.0017090 0.06 211.0659790 0.26 212.0733032 0.09 218.0596313 0.28 230.7471924 0.92 232.7783813 0.09 240.1793823 0.03 240.8322754 0.05 242.0362549 0.21 243.0742798 0.10 244.1542969 0.08 245.9348755 0.06 247.0203552 0.08 253.0556030 0.05 257.1529541 0.02 259.0524292 0.50 265.4539795 0.05 272.9867554 0.05 274.8401489 0.24 285.0865173 0.24 289.9125366 0.04 291.4656982 0.03 300.2113647 0.09 300.9825439 0.06 302.4520874 0.76 303.1091919 2.68 306.7845764 0.08 310.2575684 0.06 316.0500183 0.06 318.1524048 0.30 319.0597534 0.21 324.4567871 0.04 328.1824646 0.12 329.2852783 0.03 335.1865234 0.05 344.0165710 0.37 344.9932251 1.12 346.2952881 0.03 347.3293457 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 677.2818 Annotation 1-(2-methylpropanoyl)-3-acetyl-11-methoxymeliacarpinin Peak:m/z Relative Intensity 402.2867432 0.14 418.0040894 0.09 444.4646606 0.25 462.2953491 0.54 476.4279785 0.21 480.3218384 0.12 488.3341675 2.15 489.5103760 0.16 497.4486694 0.08 499.4661255 0.07 508.3405151 0.14 520.2760620 24.81 520.9259644 0.08 541.4242554 1.53 555.4262695 0.06 573.0475464 0.11 583.4506226 0.89 585.2930908 18.96 585.9197388 0.05 599.6349487 0.06 600.3600464 0.15 601.3555908 1.71 603.2364502 0.04 609.5322876 0.03 617.4105835 83.51 627.3598022 21.34 631.4665527 0.08 641.4500732 0.09 643.3458862 0.03 645.3254395 100.00 646.0108643 0.05 649.4566650 0.10 659.3644409 45.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 394.2 Annotation Buxifoliadine-B Peak:m/z Relative Intensity 114.2176437 0.04 129.0529175 0.10 129.9131927 0.41 133.1644287 0.07 141.1691589 0.10 147.3016205 0.12 149.2098541 0.09 151.0409546 0.20 157.9423218 0.18 158.7399597 0.15 166.1797791 0.13 167.5815125 0.11 168.7429504 0.34 176.8961639 0.52 181.9360809 0.06 195.0882263 0.21 196.9681091 1.38 198.4040680 0.13 199.9465332 0.15 209.3953400 0.52 213.0140381 0.05 215.9766541 0.67 216.9556122 0.26 220.8564758 0.06 224.9916382 1.55 227.3834229 0.41 231.0045166 0.14 232.0358582 0.63 235.0512695 0.50 236.6493225 0.13 239.1449890 0.53 241.0161743 0.11 242.2858887 0.28 243.2285461 0.40 244.1069946 2.42 245.4323730 0.41 249.2440186 0.20 251.3859863 0.19 253.1732483 0.76 257.0759888 4.35 259.4505310 0.06 261.0768738 4.39 262.0295410 0.05 265.2056580 1.25 268.2366028 0.15 271.1274719 0.14 273.2460327 0.17 274.2980957 0.10 276.6479187 0.06 279.8620605 0.09 281.1312256 0.14 282.2865906 0.32 284.1257935 1.79 289.0835266 28.78 300.2737427 0.96 302.2431030 45.12 303.8367004 0.15 307.1112061 0.43 308.3843994 1.18 310.0780029 0.60 311.5706787 0.44 312.3381653 2.03 319.1379395 0.05 320.3779907 0.11 322.1936035 0.09 323.0101929 0.15 324.3701782 0.87 330.2321167 100.00 331.1201782 1.09 331.7264404 0.07 336.2945251 0.04 349.1439209 17.19 349.9849854 0.08 356.3246155 0.34 357.8357239 0.60 359.1630554 0.15 361.2135315 0.18 363.3487854 0.36 364.0993347 0.18 365.6304626 0.66 371.3827209 0.41 372.9872742 0.38 376.2364197 19.73 377.2466125 1.11 385.1471252 0.76 388.7173157 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 323.1169 Annotation Unknow Peak:m/z Relative Intensity 96.9039612 100.00 97.5744324 0.31 189.0937500 0.32 235.1553650 0.74 243.2513123 0.18 251.9068604 0.45 277.4224243 0.13 280.8554077 0.56 287.3142395 0.15 305.2012329 8.66 308.7386780 0.51 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 295.0459 Annotation Phaseolic acid Peak:m/z Relative Intensity 86.9696732 0.28 102.8810120 1.24 112.9776535 0.82 119.0129776 1.21 130.8984070 5.62 148.9468079 56.10 149.6788940 0.02 162.9537811 100.00 178.8121185 0.12 217.1896057 0.04 221.7757568 0.09 233.0779419 1.10 235.1510010 0.26 238.1138916 0.05 251.0805054 0.49 276.4403381 0.06 277.1072388 0.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 367.1534 Annotation PA(6:0/6:0) Peak:m/z Relative Intensity 109.1314850 0.07 110.5349121 0.08 113.0177307 0.93 116.9107513 0.06 118.9419098 0.20 122.9369202 0.12 124.9760742 0.55 126.9927597 0.34 129.0501404 0.12 131.0419006 0.50 136.1460266 0.09 137.2826080 0.09 139.2651062 0.05 141.2045898 0.14 142.0417023 0.14 143.0577393 0.44 149.0151215 0.33 158.9896545 1.17 160.2782288 0.78 161.0721741 8.16 178.9053192 0.10 184.1788177 0.12 184.9717407 0.29 186.1514282 0.42 186.9563599 0.06 191.2109833 0.47 203.1129303 0.13 205.0454407 0.41 210.1088562 0.08 217.0626526 0.21 221.4176025 0.24 231.3495178 1.67 233.0852356 1.29 235.1195679 100.00 266.3887939 0.12 271.2458496 0.30 273.1917419 2.38 277.2492371 0.37 279.3028564 0.16 281.4342651 0.11 291.1671753 8.18 293.2329102 1.36 299.1140137 2.32 303.2582703 0.07 305.3957520 0.55 306.9517212 0.57 309.0275269 0.24 316.2550964 0.07 317.1539307 1.95 320.2096558 0.14 321.1869507 2.33 322.8424683 1.59 323.6560669 0.16 331.1992493 1.06 334.5896606 1.09 335.1917725 1.05 339.3298340 0.33 347.1289368 0.19 349.0859070 19.01 350.4645386 0.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1006.4207 Annotation Unknow Peak:m/z Relative Intensity 282.1525574 0.26 290.0268860 0.19 291.5597534 0.03 293.3843384 0.06 294.2488403 0.10 296.5472107 0.06 307.4217529 0.18 308.3362427 0.08 309.8489075 0.05 311.1231995 0.10 312.0657043 0.03 313.4076233 0.08 316.2439880 0.14 324.2891235 0.23 334.2426453 0.03 335.3295898 0.03 336.2835083 0.23 337.1940613 0.08 338.2884521 0.45 340.3037109 0.07 344.1558228 0.03 345.6054077 0.11 353.2261047 0.28 354.4403687 0.20 355.2701416 1.38 356.4059143 0.39 357.2529907 0.13 358.5796204 0.11 360.1790161 0.08 367.2879639 0.09 371.3713074 0.12 383.0253601 0.16 388.4430847 0.08 392.2540588 0.20 394.1842957 0.64 395.3127441 0.10 399.0024414 0.30 402.4488525 0.21 405.4710693 0.04 408.2050781 0.03 409.1516724 0.07 410.8816528 0.37 412.5143127 0.10 413.3132935 0.06 416.4216309 0.90 417.3227844 0.17 419.5584717 0.06 421.1029358 0.46 422.2632446 0.09 423.4649658 0.13 424.5292358 0.09 430.5318604 0.08 432.3677979 0.11 433.4930420 0.11 434.1071472 0.20 438.3818970 0.47 440.4122314 0.17 442.3434143 0.52 450.0879822 0.78 452.4491577 0.06 454.6353760 0.15 455.9136963 0.04 457.3305359 0.03 460.3807983 0.08 463.3337402 0.48 465.3617554 0.52 466.4712830 0.19 468.2116699 0.30 470.0985107 0.16 471.5278931 0.27 473.4241333 3.16 474.5322876 0.63 475.2317200 0.15 476.2623291 0.06 482.8374634 0.17 483.6369019 0.03 484.4032288 0.07 486.3083801 0.04 490.2731323 0.04 491.2254028 0.06 492.9093628 0.08 494.5430298 0.12 496.2344971 0.06 498.1790161 0.34 499.3244324 3.21 500.3111267 0.35 501.4360046 0.15 502.2271423 0.48 504.0911865 0.12 506.1975098 0.19 508.1263428 0.30 508.9567871 0.03 510.4108276 0.31 511.7154846 0.06 512.4347534 0.11 515.2392578 0.23 521.5411377 0.16 524.2133789 2.35 525.2882080 1.11 526.5553589 0.05 527.6556396 0.04 528.9293213 0.56 531.5661621 0.11 532.3802490 0.20 534.3209229 0.06 537.3742676 0.15 540.3094482 1.44 541.2572021 0.79 542.2624512 5.87 543.3413086 1.57 544.3317871 0.09 545.5029297 0.18 547.7303467 0.09 548.4261475 0.10 552.3529053 0.70 553.0312500 0.05 553.6411133 0.11 554.2597656 0.10 555.3304443 0.68 556.3164062 0.05 557.5621338 0.28 559.3694458 0.13 563.4159546 0.08 564.3524170 0.10 565.2635498 0.06 566.3416748 0.08 568.2210693 0.06 570.4370117 0.09 572.2658691 0.24 573.9892578 0.05 575.4365234 0.05 576.3620605 0.09 577.5142822 0.19 581.3721924 0.13 585.8789673 0.18 587.4854736 0.04 589.2956543 0.03 590.3740234 0.25 591.5612793 0.14 593.5765381 0.03 596.3650513 0.04 597.4306030 0.18 599.6126709 0.31 600.4936523 0.23 601.4802246 0.08 603.3635864 0.16 604.3953857 0.05 605.4656982 0.24 607.4766846 0.67 608.5916138 0.50 609.5719604 0.09 611.3352051 0.05 613.5782471 0.11 614.3217163 0.19 616.3005371 1.40 617.4735718 1.21 618.5946045 2.39 619.3916016 0.64 620.4984131 0.52 621.2125244 0.09 622.4930420 0.04 623.5691528 0.21 625.4925537 0.23 626.3925171 0.10 627.5067139 0.33 628.3657227 0.06 629.6325684 0.10 630.4559326 0.10 631.4684448 0.05 632.7125854 0.10 633.4748535 2.81 634.4024658 8.70 635.4551392 4.06 636.4518433 0.93 637.5068359 0.10 638.4577026 0.76 639.4429932 0.24 642.4070435 0.04 644.3450928 0.32 645.3648682 0.88 646.4041748 11.33 647.4396362 4.83 648.3215332 0.04 649.2003784 0.24 650.3984375 0.05 652.1689453 0.13 653.6378174 0.22 655.3750000 0.59 656.2726440 0.05 657.3450928 0.62 658.5626221 1.13 659.5560303 4.80 660.4017334 26.62 661.3845215 9.23 662.4202881 2.57 663.4541016 1.57 664.5989990 0.19 665.6688232 0.27 666.6116333 0.28 667.5283203 0.36 669.5321045 0.08 670.3626099 0.16 673.3173218 1.32 674.3640137 0.47 675.0738525 0.10 676.5074463 0.72 677.3094482 0.20 678.2129517 0.10 679.4620361 0.21 680.1772461 0.08 681.5852661 0.19 682.3652954 0.57 683.3979492 0.10 684.9055786 0.27 685.6029663 0.03 686.6098022 0.53 687.5140991 0.26 688.5537109 0.23 691.5797119 0.08 692.7094727 0.06 694.7184448 0.37 695.7285767 0.44 696.5690918 1.50 697.4245605 0.81 698.4168701 0.75 700.3851318 0.66 701.3061523 0.45 702.6918335 0.17 706.7376099 0.09 707.4230957 0.04 710.1917725 0.85 711.5427856 0.05 712.4927368 0.62 713.4139404 2.96 714.3814697 1.96 715.4862671 0.04 716.3165894 0.24 717.7675781 0.05 719.3820190 0.11 720.8069458 0.21 721.4248047 0.20 722.3351440 0.28 724.3258057 0.42 725.1485596 0.08 726.1443481 0.06 727.3981934 0.05 729.8015137 0.05 730.4547729 0.11 731.6034546 0.25 734.4158325 0.14 737.2207031 0.13 738.3072510 0.70 739.3478394 0.58 740.4061279 0.16 741.6419678 0.05 743.3877563 0.23 744.2663574 0.29 745.2846680 0.06 746.9863281 0.07 748.5577393 0.23 749.3575439 0.28 750.4694824 0.26 751.4506226 0.30 752.4970093 0.27 753.2191772 0.49 754.5411377 1.19 755.4560547 9.23 756.4560547 4.42 757.4762573 1.13 758.5857544 0.23 759.4702148 0.20 760.3652954 0.24 761.6723633 0.20 763.8544922 0.29 764.5758667 0.58 765.5865479 0.35 766.4691162 0.08 768.3972778 0.08 771.7900391 0.20 772.4255981 4.41 773.5438232 3.05 774.4274902 0.70 775.6301270 0.47 777.9738770 0.23 781.1494141 0.47 782.3555908 1.72 783.3441162 0.27 786.5544434 0.04 787.3658447 0.33 788.6304932 0.13 790.3502197 3.46 791.4798584 1.28 793.5117188 0.14 794.5211182 0.36 795.9157715 0.10 798.0899658 0.15 799.2106934 1.11 800.4063721 0.83 801.3959961 0.27 802.3294678 0.50 803.2691650 0.39 805.5651855 0.10 806.7686768 0.15 807.5086670 1.02 808.4523926 1.02 809.4893799 0.24 812.1572266 0.08 813.4299316 0.11 815.2832031 0.11 816.5998535 0.18 817.7824707 0.60 818.5961914 0.14 819.3956299 0.11 820.1373291 0.42 821.4724121 0.16 822.5517578 0.42 825.3991699 2.67 826.4868164 1.57 827.3942871 2.25 828.4010010 0.55 829.3408203 0.32 830.5576172 0.03 831.3862305 0.11 833.6593018 0.10 835.4498291 0.08 836.5076904 0.31 837.5031738 1.05 838.5590820 0.37 839.4890137 0.45 840.4995117 0.14 842.5506592 0.03 843.3980713 0.84 844.3226318 0.49 845.5510254 0.39 846.5213623 0.47 847.9863281 0.30 853.4444580 0.54 854.6815186 0.55 855.8625488 0.53 856.8472900 0.52 857.6131592 0.63 858.8217773 0.31 859.7145996 0.03 860.3947754 0.08 864.6071777 0.11 865.9316406 0.34 866.5520020 0.35 867.4980469 0.22 869.6057129 0.35 872.1116943 2.33 873.0137939 0.39 873.6572266 0.22 876.4309082 0.07 881.3841553 0.52 882.4737549 2.08 883.6405029 1.47 884.5697021 0.20 885.4251709 0.05 886.3536377 0.23 889.3608398 0.88 890.2441406 0.05 892.0185547 0.04 897.2775879 0.18 899.4895020 12.25 900.5030518 11.08 901.4501953 1.96 902.6260986 0.98 903.5178223 0.67 907.4008789 1.75 908.4771729 1.24 909.4482422 0.08 910.4304199 0.31 911.3917236 0.13 912.3492432 0.10 914.4053955 0.33 919.5469971 0.03 924.4724121 13.38 925.4984131 22.19 926.4565430 10.45 927.4873047 1.60 928.5084229 1.24 929.5446777 1.23 930.3353271 0.08 930.9517822 0.11 931.6503906 0.06 940.7335205 0.08 942.4562988 100.00 943.4398193 68.82 944.4086914 2.99 946.5062256 0.14 950.1563721 0.03 964.4356689 4.23 965.4924316 3.53 970.6208496 0.16 971.3839111 0.48 973.5531006 1.31 974.4963379 0.76 975.6446533 0.18 980.1638184 0.07 989.3712158 57.73 990.4052734 35.67 991.4840088 1.70 992.3801270 0.24 997.3763428 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 439.3561 Annotation Dymacrin D Peak:m/z Relative Intensity 129.9721832 0.19 133.0264282 2.01 135.0680237 3.89 137.1881561 0.19 139.0431824 0.05 140.9333954 0.19 141.8238983 0.06 145.1354218 0.64 147.0245056 4.31 149.1214905 2.54 150.8523560 0.11 152.7433472 0.13 154.8419037 0.11 155.9933167 0.15 157.2046204 0.40 159.0083160 0.85 160.2794189 0.19 161.1767883 5.95 163.1535339 0.89 164.1034698 0.04 165.0341187 0.44 171.2012634 0.39 173.0761871 0.53 175.2090302 2.45 177.2837677 3.29 179.3473206 0.32 185.1178589 0.46 187.0958557 2.49 189.0918579 4.11 191.0997009 100.00 192.9586792 1.37 198.3963928 0.21 199.1789856 1.04 201.1976624 10.79 203.1276855 41.08 205.1785126 8.34 207.1302490 0.56 209.0736084 0.29 212.3249664 0.05 213.1955566 0.39 215.1488190 3.67 217.1546631 16.47 218.5581970 0.45 219.2946472 1.29 221.0431366 3.01 223.0260010 2.16 226.7578888 0.06 229.0344543 1.03 230.0589294 0.24 231.2745056 7.71 233.2607117 0.13 235.0246124 1.22 241.2116699 0.77 243.3920288 0.70 245.2603760 6.61 247.1232605 10.50 248.0081482 0.23 249.1560364 21.90 251.3070679 0.12 253.2266541 0.84 256.4507141 0.21 257.2830811 0.77 259.1154785 2.29 260.7141418 0.50 261.3684998 5.87 263.2719116 0.24 265.3096008 0.15 269.2273560 1.72 273.2647400 1.00 275.2415466 2.23 280.2071228 0.38 283.2140198 1.32 285.6525879 0.26 287.2164307 3.64 289.1269226 1.20 291.1987305 0.59 293.1329041 0.13 295.3728638 0.73 297.4633179 1.64 299.3428955 0.06 301.2602539 3.33 302.9836426 0.24 309.4668274 0.70 312.3010864 0.25 313.2688599 0.76 314.2676697 0.27 315.2177734 4.47 323.2285156 0.28 325.4395752 0.10 327.3195190 0.16 328.2571411 0.11 329.3622742 0.64 331.4525757 0.36 333.5554199 0.07 335.5982666 0.07 337.0027771 1.71 341.4061584 1.99 343.3153992 0.81 351.1206970 0.48 355.2435303 2.25 357.2648926 0.51 361.1855469 0.14 365.4641113 0.08 366.3848572 0.52 367.3609924 0.21 369.1871033 1.97 371.4020081 0.23 375.3967590 0.85 383.4219055 0.96 389.5267029 0.23 391.9070435 0.70 393.4304504 38.77 394.3422852 0.57 395.5054016 1.62 397.4424133 1.65 403.2837830 0.63 403.9448242 0.14 410.8003235 0.56 411.4045715 2.33 412.2912903 0.45 420.7054138 3.04 421.3694458 10.60 422.6797180 0.37 438.5149841 0.97 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 641.2616 Annotation Xylogranatin A Peak:m/z Relative Intensity 213.2416840 0.05 266.1969604 0.06 267.3438110 0.04 284.8886108 0.06 293.1926575 0.03 298.1935425 0.02 309.3154907 0.10 322.0270996 0.06 323.1002197 0.31 324.1813965 0.08 337.0717773 0.12 340.8628540 0.07 345.2412720 0.02 355.2138062 0.53 356.2735596 0.06 358.1146851 0.07 359.1489258 0.14 363.0740967 0.05 369.3846436 0.11 370.2578125 0.06 373.4050903 0.03 389.0330811 0.09 391.6003418 0.05 399.0054932 0.04 400.3923950 0.10 412.5252686 0.06 430.6899414 0.22 442.0358887 0.04 444.3480835 0.05 456.3132935 0.04 476.4114990 0.14 480.4212646 0.08 486.4547729 0.18 497.4742432 0.02 499.0621948 0.02 506.3865356 0.17 519.4312744 0.10 523.3118286 0.58 524.3538208 0.34 529.2031250 0.13 537.5027466 0.35 538.3811035 0.06 546.5204468 0.03 547.2771606 0.07 548.3345337 0.13 552.3446655 0.06 565.3630981 29.87 566.3613892 38.87 567.0993042 0.02 568.3594360 0.30 569.6838989 0.37 579.2208862 0.02 582.4431763 0.07 595.4344482 0.02 597.1426392 0.07 598.3004761 1.00 604.1477051 0.08 607.1109619 0.06 609.2710571 100.00 610.2787476 92.58 610.9349976 0.27 612.2520142 0.06 614.4215088 0.08 623.3101196 0.07 624.4212646 0.16 626.3214111 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1279.5602 Annotation Moluccensin F Peak:m/z Relative Intensity 391.4358521 0.09 405.3465271 0.07 409.2230835 0.36 421.4243469 0.11 422.6496582 0.06 437.6586304 0.09 439.4443970 0.50 440.5332642 0.24 455.6992188 0.16 457.4819031 0.10 468.3086548 0.18 479.5677795 0.04 484.4624634 0.66 497.6744995 0.21 501.4370422 1.51 502.4627380 1.29 503.4259033 0.55 525.4091187 0.06 543.5181885 0.20 544.4632568 0.12 545.5183105 0.11 567.6237183 0.14 585.3704834 0.16 603.5756836 0.20 604.5505371 0.21 621.8007812 0.15 646.5296631 0.11 663.3129883 0.16 689.7386475 0.05 731.5220337 0.37 809.4308472 0.26 810.9441528 0.72 811.6821899 0.02 833.2625732 0.05 834.5006104 0.26 835.3538208 0.06 851.4875488 0.13 852.4565430 1.31 853.3835449 0.09 910.3953857 0.26 954.6072998 0.04 955.7921143 0.04 971.6484375 36.10 972.5834961 100.00 973.5794678 25.95 1068.6510010 0.07 1148.5834960 0.77 1149.5136720 0.08 1150.6938480 0.95 1176.6270750 0.08 1177.3977050 0.05 1191.2674560 0.25 1218.7893070 1.43 1219.7158200 0.91 1233.6708980 0.25 1262.4195560 0.96 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 272.96 Annotation Ribose-1-arsenate Peak:m/z Relative Intensity 114.8640442 4.77 130.9831848 0.18 157.0837555 0.02 158.9132080 100.00 159.6984253 0.05 161.2026062 0.04 198.8997803 2.30 217.0941772 0.64 228.9382629 25.82 245.1194458 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 863.1182 Annotation Unknow Peak:m/z Relative Intensity 245.1604919 0.30 259.2177734 0.18 261.1571655 1.35 262.4083862 0.18 265.1715698 0.07 281.8393555 0.03 315.2117615 0.18 321.3299561 0.14 324.2412415 0.24 330.3865356 0.15 331.2705688 0.18 334.3549194 0.05 348.3119507 0.25 349.0471802 0.09 355.4338989 0.08 359.4763794 0.32 360.1848755 0.06 361.1455078 0.33 366.1865234 0.05 384.0978088 0.13 401.1843872 0.10 417.3409424 0.07 426.2174072 0.08 429.1954956 0.24 452.4885254 0.06 461.0809326 0.14 463.3487549 0.75 464.2625732 0.43 486.0264282 0.10 509.4333496 0.30 510.5938721 0.09 539.7802124 0.04 541.2886963 0.09 562.2501831 0.05 565.3215942 0.17 574.8137207 0.16 579.9110107 0.14 608.2664185 0.15 609.5624390 0.17 632.4293823 0.21 636.3778076 0.27 641.2035522 0.47 655.0753174 0.07 673.5559082 0.08 677.4673462 0.30 684.2539673 0.04 694.5131836 0.04 695.1812744 0.14 697.5304565 0.65 698.4373169 0.23 731.4934692 0.21 753.1277466 0.32 763.3871460 0.30 765.1284790 0.35 768.2282104 0.08 772.8386841 0.33 774.5249023 0.69 775.4392700 0.70 776.2321167 0.73 784.2799072 0.14 787.3378906 0.38 789.4355469 1.15 790.8267822 0.49 792.0071411 1.17 794.4160767 0.46 798.2672119 2.70 799.0000000 1.71 800.2460938 0.18 802.9476929 0.74 804.1324463 0.06 806.1709595 0.08 807.0949097 0.82 807.7489014 1.90 808.9700317 0.53 809.6400757 0.18 810.4135132 0.10 811.6832886 0.63 813.1008911 0.46 815.5004272 0.26 817.3560181 0.63 820.3007202 0.09 822.9699707 1.01 823.6381226 0.55 824.8973389 0.37 826.3371582 0.14 826.9642334 2.94 828.0032349 0.57 828.8032837 0.06 830.4946899 1.53 831.4348145 0.98 832.2509155 0.46 834.1672363 0.24 834.7772827 1.06 835.6425781 9.72 836.8628540 0.25 838.0692749 0.40 838.7307739 1.09 839.5728149 0.84 841.5278320 0.20 842.4316406 0.46 844.7799683 0.56 847.7090454 2.76 848.7432251 1.04 850.0376587 0.88 852.1802368 4.86 853.0122681 0.71 853.7588501 0.10 854.8018799 0.39 855.6720581 0.32 870.0800171 0.34 874.3645020 0.12 875.9633789 0.44 879.5503540 0.18 882.8455200 0.07 883.5385132 0.24 884.3252563 0.21 894.5452271 0.65 895.7559204 0.24 900.2139282 0.53 906.8875122 0.06 907.5516968 0.34 908.7363281 0.26 909.7507324 0.10 910.5285645 0.17 913.4780884 0.66 914.2739868 0.53 922.3276367 0.61 925.5549927 0.06 932.8651733 0.10 934.3479004 0.20 935.5006714 0.29 937.8510742 0.74 938.5418091 0.09 941.7626953 0.73 944.2209473 0.57 947.0188599 0.50 948.2211304 0.60 948.9230957 0.30 950.7338867 0.48 954.3034668 0.54 957.6900024 0.25 958.3605347 0.08 959.5261841 3.26 960.3984985 1.05 961.5742798 0.60 963.6245117 0.73 964.7758789 0.85 966.9461060 0.39 968.4443359 1.34 969.7487183 0.23 976.1270142 0.16 979.4792480 0.26 980.3737793 0.75 981.4161987 0.24 982.7810059 1.01 983.5670776 0.10 985.3997192 0.32 986.3062134 0.41 987.8897095 2.40 988.7389526 0.85 991.3187866 0.91 992.8519897 0.46 993.8568726 0.32 997.0159302 0.98 997.7315063 1.80 999.6564941 0.79 1004.2429200 0.25 1007.7919310 0.96 1008.5750120 0.45 1010.1608890 0.22 1011.0297850 0.31 1014.7549440 0.64 1015.8137820 3.42 1016.6669920 0.92 1017.6087040 0.75 1018.8502810 0.33 1019.7836300 0.08 1020.7986450 0.36 1022.2472530 0.10 1025.5552980 5.36 1026.4492190 3.42 1027.2153320 0.91 1027.8177490 0.59 1028.4954830 0.10 1029.2608640 0.90 1029.8837890 0.38 1031.2404790 28.47 1032.2392580 12.54 1033.5494380 0.50 1034.7136230 1.77 1035.7521970 2.25 1036.7382810 1.27 1037.4653320 0.11 1038.7758790 0.40 1039.5634770 0.09 1040.7531740 0.12 1042.5974120 0.62 1044.7121580 0.52 1045.8535160 0.72 1047.8538820 0.74 1048.7698970 0.04 1050.2725830 0.60 1052.7846680 1.05 1053.9631350 2.99 1054.7000730 0.35 1055.6032710 0.59 1056.7180180 0.27 1058.2303470 5.34 1059.3013920 3.40 1063.6810300 8.86 1064.5583500 100.00 1066.3508300 2.27 1067.4017330 1.17 1068.1347660 0.61 1069.2436520 1.93 1069.9468990 5.54 1071.3740230 1.32 1072.7771000 0.20 1074.7045900 7.71 1075.3708500 5.65 1076.0632320 1.61 1077.2536620 0.97 1078.1768800 0.32 1078.9023440 0.16 1079.7375490 1.53 1080.7506100 0.25 1081.7487790 0.17 1083.0883790 0.82 1083.6921390 0.33 1084.4973140 0.30 1085.3719480 0.13 1086.9903560 1.16 1087.6420900 0.69 1088.5688480 0.44 1089.6634520 0.25 1090.7832030 0.39 1091.6149900 0.07 1094.0382080 0.67 1094.6386720 0.14 1095.7934570 1.45 1096.9167480 1.78 1097.6800540 1.15 1099.4348140 0.53 1100.3278810 1.14 1101.9208980 9.26 1102.8604740 11.84 1103.8273930 0.87 1104.5766600 0.60 1106.1281740 0.07 1107.1120610 1.52 1108.3649900 2.85 1109.5566410 0.88 1110.4365230 0.59 1112.8098140 3.52 1113.4888920 17.24 1114.3208010 4.83 1115.1496580 0.37 1116.6162110 1.24 1118.0849610 1.83 1118.8665770 0.51 1119.7780760 0.66 1121.6033940 0.48 1122.3651120 0.26 1123.3894040 0.34 1125.2080080 0.19 1141.8825680 0.14 1145.2435300 0.83 1152.2261960 0.55 1153.4787600 0.22 1162.5549320 0.11 1167.0444340 0.07 1174.6871340 0.08 1175.6968990 0.13 1176.9235840 0.45 1191.0161130 0.14 1196.5380860 0.08 1199.0125730 0.26 1205.9130860 0.27 1207.2507320 0.69 1213.5443120 0.13 1222.1785890 0.05 1231.1068120 0.31 1232.7823490 0.42 1241.2432860 0.51 1242.1491700 0.15 1243.7687990 0.29 1245.5975340 0.10 1259.6263430 0.78 1267.8406980 0.07 1269.6573490 0.11 1270.4473880 0.10 1272.4763180 0.17 1282.8336180 0.24 1300.3729250 0.19 1301.6002200 0.18 1307.8221440 0.49 1314.2708740 0.07 1315.5812990 0.94 1316.6722410 0.24 1319.9527590 0.18 1322.0321040 0.14 1324.6182860 0.18 1336.6685790 0.34 1338.1710210 0.37 1345.6445310 0.04 1346.5477290 0.17 1350.2667240 0.48 1352.9788820 0.04 1353.5971680 0.09 1355.6153560 0.32 1359.7105710 0.05 1363.7261960 0.06 1364.6937260 0.24 1365.6414790 0.34 1370.7537840 0.24 1373.1071780 0.29 1378.3714600 0.39 1382.4620360 0.04 1391.7435300 0.26 1392.6054690 0.43 1395.5842290 0.44 1397.7238770 0.12 1398.4600830 0.46 1409.2586670 0.24 1411.8690190 0.25 1415.9366460 0.11 1417.2612300 0.22 1418.4820560 0.14 1422.6754150 0.33 1424.2325440 0.13 1427.0793460 0.09 1428.2974850 0.26 1430.8732910 0.29 1432.8709720 0.86 1433.6185300 0.50 1438.3736570 4.71 1439.2473140 3.25 1440.1689450 1.80 1444.2276610 0.30 1447.1810300 0.35 1449.5100100 0.70 1457.1330570 0.29 1462.7584230 0.34 1473.1569820 0.22 1474.1925050 0.25 1474.8204350 0.11 1475.6457520 0.12 1477.1182860 0.14 1478.4598390 0.13 1481.5072020 1.98 1482.4105220 0.23 1489.8507080 0.37 1494.8653560 0.49 1509.4951170 0.26 1514.2608640 0.25 1529.7015380 0.23 1531.2435300 0.21 1536.1121830 0.59 1537.2647710 0.68 1538.3237300 0.10 1539.1285400 0.12 1540.1917720 0.19 1591.7301030 0.32 1595.3933110 0.25 1597.9576420 0.21 1646.4392090 0.14 1689.4987790 0.23 1705.5399170 0.06 1735.0533450 0.20 1758.5062260 0.19 1790.7821040 0.09 1809.7349850 0.16 1824.6437990 0.15 1832.9356690 0.03 1887.3376460 0.18 1922.4626460 0.20 1935.0228270 0.07 1940.8776860 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 367.0671 Annotation Decarbamoylgonyautoxin 1 Peak:m/z Relative Intensity 112.9751282 9.99 126.9025803 0.38 129.0375824 0.19 130.9732056 0.13 134.1045990 0.26 149.2042542 0.21 154.8324280 0.05 165.2136230 0.05 172.2258606 0.02 173.0438538 0.38 178.0753784 0.19 180.2612000 0.02 191.0908813 4.44 191.9445343 0.04 193.1030884 12.37 217.2832947 0.07 219.2413025 0.28 233.3290710 0.03 235.0475464 0.36 262.9772339 0.20 269.4238586 0.04 273.1462708 0.05 283.3836365 0.02 287.2586670 0.05 307.1770325 100.00 321.2785034 0.07 322.7700195 0.10 323.3844910 0.03 328.2315674 0.07 330.2962036 0.02 351.5527039 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 535.1091 Annotation 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide Peak:m/z Relative Intensity 174.9254456 5.49 300.1741028 0.05 331.2012329 0.13 344.2058716 2.57 345.1303101 0.41 359.2205200 100.00 386.1045532 0.09 419.0834351 0.05 427.4080200 0.07 443.3203735 0.10 454.8823853 0.20 491.6923218 0.02 499.1399536 0.07 516.4364624 0.04 517.2416992 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 697.1371 Annotation Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside) Peak:m/z Relative Intensity 200.9093323 0.16 202.0935669 0.03 203.0850983 0.25 203.9158936 0.17 205.1106415 0.16 206.9174347 0.13 208.0678711 0.01 211.1385956 0.19 211.9424133 0.04 213.1375427 0.02 214.0168762 0.11 215.0447693 0.24 216.1248169 0.02 217.1036530 0.21 218.1128235 0.08 219.1775818 0.21 220.1604767 0.06 223.1235046 0.09 226.2706146 0.08 227.2036743 0.16 228.1857452 0.08 228.9981079 0.16 230.0068054 0.05 231.2220764 0.17 232.1455994 0.62 233.1674805 0.24 235.2099152 0.01 237.9147186 0.01 239.0954590 0.27 240.1071777 0.09 241.1185608 0.06 243.0415649 0.79 244.0996094 0.05 245.1084442 0.30 246.2705688 0.01 247.0480652 0.03 249.0349426 0.02 254.9918823 0.20 256.1850586 0.24 257.2492371 0.04 258.8113403 0.03 260.0879822 7.90 261.1579590 1.81 261.9154663 0.05 266.2365112 0.01 267.1724243 0.25 268.1019897 0.03 271.0920715 1.24 272.1800537 0.31 273.1643372 1.12 274.1468811 0.11 274.9603577 0.07 276.2288208 0.02 278.9717712 0.02 281.2201538 0.14 282.3341675 0.02 284.4187012 0.07 285.1933289 0.10 286.0338135 0.02 287.0470581 0.04 289.1506958 0.67 290.1710205 0.11 291.0922546 0.74 292.2167664 0.03 299.1165771 2.31 300.0889282 0.26 301.2171936 0.03 302.1801147 0.06 303.1468201 0.05 304.9860535 0.02 306.9817505 0.06 307.6377563 0.01 308.3891602 0.04 309.4398499 0.03 312.0726929 0.03 313.1304932 0.04 313.9402466 0.02 315.2886353 0.01 317.0430298 1.05 318.0738525 0.03 330.0624390 11.29 331.1925049 1.67 335.0635376 2.81 336.1463623 0.32 339.0904846 0.04 345.1353149 100.00 346.1927490 14.13 353.0583496 12.17 354.1489258 1.54 359.2741699 0.02 367.3015137 0.01 368.9113770 0.00 375.0774536 0.01 419.2020264 0.03 521.3102417 0.08 534.7990112 0.05 535.7797241 0.01 562.7151489 0.04 563.4138184 0.01 564.1231079 0.01 569.5628052 0.02 593.5178833 0.01 609.3215332 0.01 616.9296265 0.04 643.5207520 0.01 647.8399048 0.04 651.3903809 0.04 653.1811523 0.03 655.2487183 0.01 660.9087524 0.02 662.1708374 0.05 679.2996216 0.08 680.6396484 0.03 689.1889648 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1193.4867 Annotation Unknow Peak:m/z Relative Intensity 343.3011780 0.08 719.4110107 0.08 721.6392822 0.09 762.4462891 0.21 772.1659546 0.04 832.5020752 0.06 854.4392090 0.08 855.5996094 0.25 868.6141357 0.04 879.8361816 0.15 925.0662842 0.17 971.3901367 0.43 972.6104736 1.15 973.5805664 4.13 974.1835938 0.11 1003.6284180 0.04 1008.0891110 0.04 1040.2850340 0.09 1086.7612300 0.05 1106.8929440 1.46 1107.5615230 6.18 1108.1749270 0.08 1117.6932370 0.12 1131.4602050 0.05 1132.4971920 0.44 1148.5864260 25.86 1149.5347900 100.00 1150.1701660 0.27 1160.1660160 0.36 1162.7011720 0.22 1174.3981930 0.92 1175.1113280 0.51 1175.7622070 0.78 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 791.3891 Annotation Unknow Peak:m/z Relative Intensity 223.0290833 0.50 226.2245789 0.08 245.1355591 1.18 246.1569824 0.15 250.1603088 0.40 251.2596893 0.42 257.1645508 0.06 261.1841431 0.24 262.1397095 0.23 270.5419922 0.07 278.1880798 0.77 279.0556030 1.41 283.6755981 0.23 284.5642700 0.29 295.1671143 0.22 296.1800232 2.04 297.3122864 0.43 302.9669800 0.07 309.4396667 0.05 315.3202515 0.72 317.2329712 0.25 318.9452209 0.48 320.2556152 0.14 329.7969360 0.11 335.0185547 0.37 342.0888062 0.24 348.3844910 0.40 363.8139038 0.06 375.0065918 2.04 378.9100342 0.30 383.9627075 0.53 390.6697998 0.49 392.9505005 0.36 397.5065308 0.18 398.4629517 0.36 402.4953613 0.72 406.4773560 0.50 409.0668335 0.09 410.2227783 0.64 416.4053345 0.59 418.0653687 0.08 419.2563477 0.98 420.5175171 0.30 425.5588379 0.25 426.4935303 1.06 427.3499146 0.37 431.0516968 0.21 432.3973389 1.05 439.4274292 0.81 440.5983276 0.12 442.9912109 0.18 453.5779419 0.55 454.3334961 0.09 462.2245483 0.43 478.3583374 0.38 484.5588379 0.21 485.3376465 0.27 490.8766479 1.26 493.3964233 0.48 496.0026245 0.38 496.8581543 0.14 497.6770630 1.20 500.0797729 0.95 505.9564819 0.13 511.3228760 0.34 512.5869141 0.28 516.1035156 0.07 522.1327515 1.16 523.1815186 0.14 524.3062744 0.53 528.7479858 0.56 531.7121582 0.11 532.3356934 0.25 533.5155640 1.38 535.0845337 0.42 537.3357544 0.29 539.3799438 1.14 540.7438965 2.93 541.4593506 0.27 543.2587891 0.20 545.5793457 0.75 547.9304810 0.53 549.4307251 0.43 551.4274902 0.07 552.9635620 0.24 557.7725830 0.13 561.1095581 0.80 562.0476685 0.33 563.5119629 0.60 564.4656372 0.19 566.5567017 0.80 569.4020386 0.82 570.3961182 3.81 571.4083862 0.08 573.2786865 0.18 574.3728638 0.40 575.9001465 1.00 580.3113403 0.22 581.5722046 1.74 582.5143433 0.45 584.9063110 0.13 588.8615723 0.73 590.6356812 0.63 592.7223511 0.23 593.6879883 0.47 596.5715942 2.38 600.2798462 1.05 602.7617798 2.77 603.6117554 2.10 605.5179443 6.57 606.8101196 0.26 607.4456177 0.59 608.4857788 6.32 609.4404907 1.37 611.8519287 1.31 612.7290039 0.60 614.6831665 15.15 615.5208740 0.94 617.8717041 3.05 623.5159302 0.39 626.6796265 0.77 627.2837524 0.07 628.2120972 1.84 629.1744995 1.42 632.2514038 1.67 635.7406616 0.34 636.5980835 0.09 637.6220093 3.94 639.3969116 0.57 640.3502197 1.05 643.6169434 2.25 646.5053711 1.89 647.9618530 1.23 648.5988159 1.13 653.6908569 1.81 655.5661621 0.54 657.0825806 1.73 657.8558350 0.70 659.1160278 2.33 659.8637695 0.36 660.6794434 1.17 661.9588013 3.99 663.4832153 0.73 665.3325806 0.73 666.1611938 1.39 669.3687134 2.93 670.5838013 1.26 673.1401978 0.97 674.1679077 0.89 674.8795776 0.17 675.9826660 0.85 679.2918701 3.16 680.1376953 0.36 681.1933594 0.75 683.7847290 1.02 684.9147949 4.49 687.4959106 0.29 688.5201416 1.05 689.1887817 0.60 691.7706909 0.46 692.7683716 1.11 693.5287476 1.61 695.1085815 0.63 696.1511230 1.32 697.2423706 0.76 698.2971802 0.52 699.6273804 2.96 700.8178711 0.65 702.0963745 2.92 703.7964478 3.50 705.0098877 1.34 705.6550293 0.20 706.7323608 0.49 707.3598022 4.12 708.3200073 1.09 708.9946899 0.98 710.0424194 2.22 710.7960205 1.18 711.7680054 2.41 713.2854614 14.86 714.0756226 2.02 715.6376343 2.18 716.4378052 2.98 718.0208740 17.03 718.9555054 11.44 719.7628784 0.44 720.9878540 5.53 721.9566040 9.07 723.4238892 2.97 724.3671265 0.37 725.2414551 2.62 726.3046265 29.43 727.4075928 4.05 728.4091187 3.43 729.8447876 4.86 730.6766357 34.00 731.3916626 4.43 732.5359497 0.13 733.5122681 2.38 734.7228394 3.64 735.3656616 0.08 736.9754639 3.81 738.0116577 6.87 738.8964233 0.42 739.5533447 3.48 740.9998169 11.52 742.0132446 26.04 742.8818970 1.10 745.3793335 17.41 746.4376221 60.26 747.1475220 2.71 747.9981079 4.06 749.0139771 2.03 749.6911011 10.85 750.8330688 3.77 752.0064087 3.14 753.5438232 1.15 754.1968994 48.46 755.2097778 2.13 756.1102905 2.11 758.5396118 100.00 760.1160278 5.91 760.9789429 3.98 761.7942505 3.71 763.1138306 56.73 764.2079468 1.40 765.2834473 2.88 766.7752686 12.64 767.7632446 2.79 768.3635864 0.06 769.5350342 3.91 770.1614380 1.78 771.4326782 6.36 772.3546753 8.31 773.6184082 6.66 774.3332520 4.95 775.0208740 0.15 776.3658447 24.54 777.3642578 2.58 778.6248169 40.42 780.5160522 55.33 782.8718872 25.46 783.5997925 0.26 784.5213013 0.33 785.8651733 0.52 790.5217896 0.38 795.5287476 0.28 796.4385376 0.09 799.2639160 3.19 800.2929077 0.84 805.5939331 0.84 807.5142212 1.61 810.1877441 0.22 811.0855103 0.86 813.8934937 1.95 815.0270386 0.86 816.3678589 1.04 817.9690552 0.08 819.1165161 0.62 822.2836914 1.29 823.1004028 4.71 824.1362915 1.46 826.6095581 0.46 827.6824341 0.10 828.3099976 0.51 829.8911133 0.51 833.6774292 1.97 836.4747925 0.45 837.5913696 2.61 842.0784912 0.31 846.5678101 0.05 847.7957153 0.40 851.7887573 0.52 853.4057617 0.15 854.3779907 0.19 855.9300537 0.32 857.6715698 0.67 860.7220459 0.62 861.6044922 0.61 863.7117310 0.48 865.5664673 0.13 866.6056519 0.41 869.9082642 3.98 870.8074951 1.55 871.6762695 0.62 873.8226929 0.12 875.3527832 3.73 876.1117554 1.70 877.5175171 0.30 879.0867920 2.28 880.7971191 0.60 881.7001343 0.30 884.0946045 2.16 885.4072876 2.25 886.2233276 0.31 887.7764282 0.73 889.4846802 0.19 890.4387207 1.03 892.2994995 1.08 892.9616089 2.31 893.6060181 0.46 894.2539673 0.24 895.1382446 1.03 896.4724731 0.93 898.3939819 3.15 899.1250000 1.00 899.9243774 1.42 900.7175293 2.37 901.8251953 0.97 903.3566284 0.97 904.0720825 1.86 905.7083130 1.07 907.0561523 2.24 907.9528809 2.66 910.0855103 0.82 911.0947876 1.44 911.8770142 0.57 912.7103882 3.05 913.6536255 4.71 914.7380371 1.94 916.1106567 0.99 918.2511597 4.47 918.9802856 4.20 921.3239136 12.42 922.2064819 0.52 923.0662231 2.79 923.8414917 0.12 924.8894653 1.54 925.5808716 0.34 927.4734497 3.87 928.6918945 2.87 929.8851929 1.88 933.0186157 1.14 934.0890503 1.14 935.2442017 1.49 936.2963257 1.62 937.2893677 0.60 938.3843384 1.30 939.9404907 1.99 941.1867676 1.70 941.9431152 0.40 942.5625000 0.07 944.8435669 4.77 946.6038208 1.77 947.7505493 0.95 949.0864258 5.64 950.3102417 1.58 951.3563843 10.62 952.1442871 0.13 953.6215210 1.69 954.4603882 2.36 955.5867310 5.03 956.2435913 3.80 957.0054321 46.54 958.1768188 1.29 959.0856934 3.20 960.4778442 16.91 961.1460571 3.49 962.4904175 1.49 965.5552368 6.41 966.3490601 0.10 968.0995483 36.12 969.1017456 1.46 969.7930298 3.66 970.5534668 0.38 971.5100708 0.44 972.8857422 2.15 973.9274292 56.39 975.1832886 0.61 976.3710327 0.37 977.0272827 0.46 978.2722778 3.34 978.9502563 0.72 979.7037964 0.13 981.3512573 0.45 982.5881348 1.11 983.7376099 5.86 984.9101562 9.06 986.5742188 2.19 987.7094727 7.16 988.6586304 2.00 989.4048462 9.09 990.5975952 0.45 992.9128418 8.94 993.7811890 10.35 994.9089355 18.97 995.9734497 0.99 996.6372681 0.11 997.2630005 0.64 998.7482910 9.98 999.3522339 0.64 1000.5717770 1.63 1002.8056030 2.64 1003.8035280 0.67 1005.1331180 2.64 1006.0303340 0.88 1007.0092770 0.47 1007.7048950 0.11 1008.3130490 1.32 1009.1961060 0.68 1010.4392700 7.99 1011.3566890 3.32 1012.2636720 2.14 1014.4506840 1.71 1016.6904300 4.94 1017.3198850 8.36 1018.1203610 1.40 1019.4941410 1.28 1020.5778810 0.50 1022.3130490 5.31 1023.2633670 3.46 1025.1716310 2.23 1026.1492920 6.35 1028.3437500 0.94 1029.8676760 1.91 1031.7149660 2.88 1033.6271970 0.12 1036.7491460 0.18 1038.4708250 1.81 1039.4577640 0.85 1040.1757810 0.26 1041.1445310 0.65 1041.9549560 1.27 1042.6276860 0.21 1044.7456050 0.38 1048.0776370 1.48 1049.2983400 1.05 1051.4072270 0.08 1053.6322020 0.23 1054.9234620 0.52 1059.1890870 0.76 1060.2022710 0.77 1063.3776860 1.19 1064.7663570 1.46 1065.4383540 0.53 1066.5391850 0.64 1067.9057620 0.54 1068.6733400 2.12 1069.3088380 0.45 1072.5555420 0.11 1073.5172120 1.99 1074.4118650 1.35 1077.6748050 5.72 1078.3109130 0.65 1081.6962890 0.32 1083.2938230 2.57 1084.0415040 0.26 1084.7292480 0.34 1088.5747070 0.25 1090.0618900 0.67 1093.9387210 0.40 1094.8681640 0.20 1097.8093260 0.94 1104.4622800 0.15 1110.3792720 0.09 1115.8847660 0.18 1117.1423340 0.23 1122.6672360 0.65 1124.1375730 0.43 1125.5118410 0.87 1126.6506350 0.16 1130.1077880 0.16 1131.2443850 2.02 1135.4548340 0.09 1136.1347660 0.13 1137.9965820 0.22 1141.7182620 0.59 1142.4609380 0.18 1143.5017090 0.20 1148.1337890 0.14 1152.6862790 0.65 1154.6097410 2.04 1162.8505860 0.27 1166.6135250 0.28 1167.5495610 0.08 1174.8898930 0.27 1181.9544680 4.54 1190.4835210 5.99 1191.2740480 0.65 1192.0264890 0.34 1192.7170410 0.24 1198.8682860 0.38 1204.5618900 0.21 1209.6075440 0.71 1210.3923340 0.09 1212.2004390 0.09 1215.6253660 0.11 1217.3979490 0.32 1218.7353520 0.33 1220.9666750 1.81 1223.6591800 0.22 1235.6602780 0.04 1237.6563720 0.15 1242.6688230 0.31 1246.6573490 0.42 1253.4356690 0.90 1254.8139650 0.73 1256.2554930 0.65 1261.1531980 0.62 1269.5170900 0.67 1277.4786380 0.10 1279.8344730 0.31 1280.6389160 0.69 1281.4583740 0.37 1282.8587650 0.89 1284.1408690 0.50 1286.3587650 1.00 1288.5291750 0.30 1296.1517330 0.45 1304.4938960 0.57 1305.5762940 1.35 1306.9251710 0.34 1313.2404790 0.53 1316.6031490 0.33 1322.6893310 7.72 1323.5479740 5.11 1324.4470210 0.04 1334.5577390 1.98 1335.8560790 0.21 1337.8999020 0.16 1339.3289790 0.85 1343.5718990 0.41 1363.1881100 0.17 1390.6112060 0.38 1400.6254880 0.14 1403.7618410 0.40 1404.9893800 0.37 1415.7274170 0.21 1421.8452150 0.23 1431.3746340 0.31 1432.6510010 0.14 1433.8498540 0.16 1436.0144040 0.25 1449.8725590 0.31 1454.9332280 0.21 1461.0687260 0.46 1474.6431880 0.34 1508.5849610 0.29 1518.6826170 0.58 1530.8247070 0.06 1534.3964840 0.10 1552.2257080 0.14 1560.4775390 0.20 1570.3496090 0.03 1575.7346190 0.16 1594.4885250 0.33 1609.5314940 0.13 1645.1881100 0.22 1646.1326900 0.24 1660.7677000 0.19 1670.4219970 0.19 1767.5607910 0.46 1825.7637940 0.42 1888.4318850 0.17 1899.6682130 0.46 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 643.2747 Annotation Xylogranatin A Peak:m/z Relative Intensity 204.0137024 0.37 221.1584625 0.07 227.1906433 0.05 256.3642273 0.08 269.1900940 0.38 271.3984680 0.14 273.1948242 0.07 277.1289368 0.07 281.0139160 0.20 285.2913513 0.04 287.3401489 0.49 289.0764160 0.05 297.0307617 0.04 299.2028809 0.94 308.4467773 0.12 309.4036865 0.05 313.1781616 0.11 324.4723511 0.23 325.2694702 1.79 327.3428955 0.06 331.1915588 0.06 334.5740356 0.06 335.3589478 0.37 336.4519653 0.68 337.3099976 0.16 343.0740967 0.16 345.1506348 0.04 349.4408569 0.03 350.2609253 0.05 356.0358887 0.08 357.2217407 1.44 361.1238403 0.08 361.8937988 0.14 365.2601318 0.24 368.5791016 0.05 372.7866821 0.28 377.0843506 0.10 378.1423950 0.07 379.2982788 0.03 394.8256836 0.06 403.1798096 0.04 407.3356323 0.17 413.2050781 0.09 423.1414795 0.03 429.4748535 0.03 440.8864136 0.39 446.1688843 0.53 447.3267212 0.10 448.2419434 0.07 454.0663452 0.10 458.2203979 0.30 462.0242310 0.07 463.3951416 0.08 468.4838867 0.09 476.3235474 0.06 478.0994873 1.74 480.3884277 0.46 481.6248779 0.02 490.3113403 4.19 498.6221924 0.08 506.2905273 0.08 521.2761841 0.06 522.3636475 0.12 523.0831299 0.03 534.4039917 0.12 535.1875000 0.06 541.4910889 0.06 545.2835083 0.08 551.6259155 0.12 552.3979492 0.29 553.0430298 0.04 555.3129883 0.04 556.3154907 0.03 567.1785278 0.04 570.4049072 0.14 571.8922119 0.15 581.7712402 0.12 583.2079468 0.31 592.5053711 0.12 593.2025757 0.06 597.6436157 0.35 599.3131714 0.14 601.4795532 0.03 611.3621826 100.00 614.7924805 0.17 615.4855347 0.39 619.9170532 0.09 624.8734741 1.33 625.5036011 1.03 628.2445068 0.03 644.0874023 0.03 653.2619019 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 535.107 Annotation 5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide Peak:m/z Relative Intensity 344.1224976 0.11 345.2103271 0.04 359.1279907 100.00 360.2009888 0.06 424.2587891 0.01 454.9004517 0.03 489.3766479 0.01 516.5896606 0.01 517.4375610 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 691.2617 Annotation Maytanbutacine Peak:m/z Relative Intensity 201.2353821 0.26 202.3114319 0.33 212.1761169 0.40 213.0834198 0.20 214.1780853 0.05 215.1934814 0.08 218.1336670 0.07 226.2759399 0.07 227.1169128 0.26 228.1781006 1.35 229.1229248 2.74 230.1272583 1.19 231.0500488 0.14 240.2351074 0.18 243.0787659 0.10 244.0968933 0.11 245.1761475 0.87 246.1970520 0.14 255.1402588 1.04 256.1958008 0.09 257.1195068 0.40 258.2771606 0.44 271.3022461 0.06 273.1018677 11.36 274.1017456 0.13 275.1670837 0.59 290.9443359 0.23 312.2231445 0.07 317.2357788 12.20 325.5399780 0.06 335.1505127 100.00 335.7649536 0.26 341.0321045 0.04 349.4230957 0.12 355.2823486 4.42 388.2606201 0.07 399.9577637 0.02 452.3897705 0.46 474.5307617 0.08 484.9478760 0.05 491.9263306 0.17 502.1176147 0.13 509.6702881 0.06 515.3390503 0.47 516.2429810 0.10 534.4916992 0.26 535.4257202 0.11 545.8480835 0.04 555.4821777 0.62 559.1663208 0.47 569.2034912 0.02 570.0460815 0.10 571.2758789 0.20 579.6460571 0.15 581.6366577 0.06 585.3507690 0.14 587.2445679 3.54 591.5438232 0.04 593.4502563 0.09 597.4103394 0.08 599.2368774 3.16 600.5292358 0.27 602.4796753 0.09 609.7184448 0.07 611.2155151 0.07 613.4237671 0.34 615.4111938 1.04 619.2353516 2.25 619.8450928 0.03 623.6052246 0.18 627.6514893 0.10 628.6906128 0.12 629.5443726 0.63 631.2499390 24.40 631.8547974 0.31 632.7457275 0.16 639.2116699 0.04 641.3021240 2.16 642.0111694 0.02 642.9931030 0.06 644.5211182 0.14 645.3460083 0.12 646.6368408 0.45 647.4277954 0.30 653.1930542 0.04 655.5426025 0.17 659.3692627 14.28 661.3287964 0.07 663.4954224 0.07 673.3040161 5.22 674.3859253 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 758.9 Annotation Unknow Peak:m/z Relative Intensity 233.3197784 0.05 261.2111206 0.01 265.1355286 0.01 279.2946167 0.03 281.4622192 0.05 282.2097168 0.01 295.7632446 0.06 298.9646606 0.03 305.4921265 0.01 322.9963989 0.04 324.0650330 0.01 327.0538940 0.07 332.3022461 0.03 336.2005005 0.02 371.3921509 0.02 378.1367798 0.01 405.2030029 0.01 411.1582031 0.03 442.5018921 0.05 454.3260498 0.01 455.3018188 0.01 459.3240356 0.03 461.1425781 0.11 462.3583374 0.01 478.8120117 0.03 484.2497559 0.01 488.0066528 0.01 496.3220215 0.02 499.9378052 0.03 505.1034546 0.05 555.6799316 0.05 560.6642456 0.01 582.4470215 0.05 596.0795898 0.05 597.0142822 0.07 611.5666504 0.02 625.7603149 0.04 630.6202393 0.02 638.4998779 0.04 651.4835815 0.14 652.2861328 0.02 681.4961548 0.01 690.2902832 0.21 691.3128052 0.05 693.9804077 0.06 702.3783569 0.02 704.7913818 0.01 713.7839966 0.24 717.2237549 3.10 718.6679077 0.04 720.1326294 0.06 722.7866211 1.02 724.5029907 0.02 726.2059937 0.13 727.6045532 0.03 740.8410034 0.63 741.7720337 0.06 743.1392212 0.26 746.4036865 1.04 748.0430298 0.01 748.7832031 0.07 750.0116577 0.23 752.9700317 0.01 760.1636353 0.04 768.9646606 0.06 783.9904785 0.05 797.2030640 0.09 798.6509399 0.04 820.9704590 0.04 823.7525024 0.02 837.9694824 0.74 838.7750244 0.16 846.5976562 0.02 856.8094482 0.04 857.6887817 0.33 862.0086060 1.25 862.6867676 2.50 864.0300903 0.11 866.6080933 0.08 867.8345947 0.37 868.8955078 0.12 872.0527344 0.16 883.2724609 0.05 889.3801880 0.03 891.9487915 1.67 893.0409546 0.04 894.6889648 0.14 896.2167969 16.64 897.7492676 0.57 898.8115845 1.90 899.9611816 0.31 900.7820435 0.16 903.1332397 100.00 904.6757812 0.40 905.6060181 0.16 907.6244507 1.15 908.8192749 0.28 909.7031250 0.03 910.4707031 0.04 911.8239136 0.08 916.0490723 0.12 918.2905273 0.57 919.7262573 0.05 920.5490723 0.10 922.0043945 0.14 926.7021484 0.05 932.6823730 0.16 934.9384766 0.17 940.6286011 0.07 951.1325073 0.07 991.4364624 0.07 998.4542847 0.05 999.4321899 0.05 1026.5921630 0.03 1031.9611820 0.04 1034.8150630 0.02 1085.1029050 0.06 1093.5205080 0.13 1102.0344240 0.01 1104.2911380 0.01 1111.2030030 0.14 1114.5568850 0.02 1116.8282470 0.38 1117.5751950 0.24 1149.4473880 0.53 1150.2700200 0.15 1156.3813480 0.31 1157.9357910 0.16 1161.8574220 0.01 1162.8286130 0.01 1169.8041990 0.03 1171.1689450 0.09 1172.0560300 0.03 1179.5927730 0.15 1206.0196530 0.03 1216.3322750 0.05 1217.9785160 0.03 1272.8585210 0.03 1288.1857910 0.05 1320.7781980 0.02 1374.6280520 0.06 1387.9779050 0.07 1398.4240720 0.01 1404.7235110 0.01 1408.9473880 0.10 1426.2562260 0.09 1428.3039550 0.02 1439.3835450 0.07 1455.1342770 0.03 1479.8841550 0.08 1554.1690670 0.03 1558.8414310 0.05 1566.3887940 0.02 1584.0876460 0.04 1615.8142090 0.05 1639.0076900 0.05 1743.6690670 0.04 1745.7941890 0.03 1757.8792720 0.01 1792.6065670 0.02 1799.3952640 0.03 1828.5643310 0.05 1865.6802980 0.02 1868.8757320 0.03 1878.4128420 0.01 1898.8634030 0.03 1910.7935790 0.06 1944.9415280 0.01 1949.8455810 0.01 1961.7048340 0.04 1993.7525630 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 239.772 Annotation Unknow Peak:m/z Relative Intensity 72.7941208 0.02 83.9716339 0.02 88.9912872 1.00 99.9931946 0.03 107.3157654 0.08 108.8735809 0.14 110.8953857 0.02 113.0033875 0.01 121.1985168 0.03 123.2944794 0.01 124.9506683 0.04 126.1882629 0.02 127.9025726 0.05 133.0512543 4.29 134.0919037 0.14 136.0250244 0.16 136.8838196 0.02 137.9637146 0.02 147.1022491 0.05 148.3266907 0.07 151.0807953 0.49 153.0772247 0.07 158.1194000 0.05 165.0522919 0.35 171.0748749 0.23 172.3084869 0.12 175.6106567 0.09 177.1603851 0.50 178.2847290 0.02 179.0564880 0.03 181.4852600 0.09 182.1236115 0.73 183.0618591 0.11 184.2366638 0.05 193.1965790 0.05 195.0599976 0.36 196.1560516 0.05 197.8436737 0.03 199.0968170 0.31 200.9077759 0.13 204.0865479 0.07 210.4266815 0.06 211.2611542 0.07 212.1608124 0.11 214.3563995 0.08 215.1553955 0.10 216.0607452 0.03 218.9775391 0.40 220.1750641 1.70 221.2287598 0.91 222.5532074 1.04 223.2784424 0.04 224.5090790 100.00 225.4322662 1.06 226.3335114 1.03 227.1602325 0.18 228.1065826 0.81 229.5818024 0.21 230.6820679 1.37 231.4798737 0.05 234.1695709 0.44 237.5298462 0.11 246.6694946 1.13 247.3548584 0.13 252.7611847 0.15 258.0852051 0.01 259.2380981 0.33 269.0787048 0.02 285.8298035 0.75 291.1958618 0.14 292.0661621 0.17 293.1077576 0.11 293.7849731 0.01 299.7796021 0.10 300.8265991 2.64 302.4848633 0.03 306.8779297 0.04 313.7366028 0.28 314.5649719 0.09 315.5736389 0.18 323.8288269 15.52 326.3465881 0.12 328.7150574 0.12 329.8092957 0.50 336.2789612 0.13 336.9855652 0.03 337.7767639 0.35 338.3790588 0.03 339.2958679 0.21 343.5725403 0.02 346.1968079 0.01 350.8504944 0.18 363.4800110 0.10 373.4469910 0.03 374.5111694 0.13 387.3618469 0.04 404.3659973 0.03 421.3868103 0.53 422.4927063 0.17 445.5044556 0.08 449.3234558 0.24 450.4352417 0.07 465.5719910 0.11 518.4620972 0.04 536.1447144 0.05 614.3992310 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 499.1086 Annotation Unknow Peak:m/z Relative Intensity 161.1738129 0.51 163.0336914 10.06 169.1751709 0.12 171.1011353 0.15 186.9192505 0.24 189.0433655 0.09 205.0224915 5.01 216.3927002 0.04 221.0480652 0.09 231.2129517 0.22 236.3775787 0.11 238.1614380 0.46 239.1485901 0.13 241.0036621 0.24 243.1552734 0.08 248.4113159 0.25 249.3492584 0.13 250.0394135 0.14 255.3757629 0.09 256.0431213 0.07 257.0516357 0.10 259.1450195 0.29 269.1207886 0.10 273.3803406 0.07 277.1937256 0.16 282.9958801 0.67 284.7076721 0.55 290.4789124 0.13 292.9713135 0.20 302.3399048 0.27 307.1325073 8.43 309.2001343 0.18 315.1511230 0.13 319.2839661 0.74 325.1527405 17.30 328.9001160 0.11 337.5313110 0.19 349.1491089 0.09 353.1036682 0.10 355.1163025 0.68 357.1545105 0.09 365.9925232 0.60 367.0729370 4.22 378.3208618 0.11 381.2167053 0.11 393.1901855 6.11 395.1041260 10.04 397.7328796 0.20 398.6448364 0.23 399.5314331 0.24 401.4913025 0.22 403.1495667 0.28 406.9609985 0.08 408.1091614 0.31 412.4423523 0.19 418.3659973 0.05 421.2649841 1.69 424.3371582 0.32 425.2508240 0.35 426.9248962 0.27 427.5848083 0.14 432.5158081 0.27 435.2356262 0.06 437.3154602 0.24 439.0851440 100.00 439.6896667 0.99 441.3893433 0.46 452.1640930 0.23 453.2502136 1.20 454.1944885 0.92 455.5390015 0.12 457.5013733 0.13 461.1927795 0.31 462.3367920 1.54 463.2582703 0.23 467.5969543 0.05 468.2058411 0.23 469.2968445 0.29 470.7039490 0.20 471.3960876 0.19 480.3896179 1.04 481.4146118 1.57 490.6543884 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 383.1556 Annotation 2,3-Butanediol apiosylglucoside Peak:m/z Relative Intensity 111.0990219 0.13 112.8317337 0.90 114.9152527 0.42 119.0594940 0.07 123.0644150 0.09 124.8999405 1.67 129.0211945 0.11 130.9855042 0.49 134.0015259 0.36 141.8515930 0.06 143.0575867 0.79 148.9138947 0.61 159.0185394 1.76 161.0664368 13.94 167.3545074 0.08 168.0556335 0.06 172.8844604 0.09 175.2120972 0.11 190.9109039 0.80 206.0270844 2.72 207.1163483 0.19 215.0245361 0.31 220.0148315 0.39 233.1684875 4.83 245.1882629 0.10 251.0970459 100.00 254.0973206 0.08 257.1000671 0.29 259.1616516 0.15 266.0466919 0.30 267.2028198 0.08 271.2878723 0.03 274.8891602 0.20 277.0688477 0.06 280.7232361 0.09 281.4498901 0.35 288.8558655 0.26 291.3271790 0.10 293.1159058 3.70 296.1810303 0.05 297.3210449 0.07 299.2381897 0.11 310.2893677 0.17 315.2553711 0.04 322.3453064 0.21 322.9659424 0.09 335.7367859 0.06 337.2820740 0.68 338.2202454 0.75 339.4020081 0.20 345.3566589 0.09 347.4538574 0.16 364.2474670 0.29 365.4019165 1.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 518.3229 Annotation PC(18:3(6Z,9Z,12Z)/0:0) Peak:m/z Relative Intensity 148.0886536 0.05 175.0129700 0.04 176.7040253 0.07 184.0124817 28.59 184.9038696 0.11 204.9792786 0.04 242.8903351 0.29 258.1747437 0.40 268.4266663 0.14 269.0371704 0.26 282.2307739 0.09 286.0269775 0.06 309.2302856 0.06 324.6843262 0.06 325.4200439 0.05 329.0301514 0.04 335.2437134 0.50 415.3818970 0.09 417.3612061 0.05 426.5722656 0.05 441.0667114 0.05 459.3806152 0.17 465.1242065 0.07 483.2443237 0.23 486.6109009 0.16 500.3432007 100.00 501.2847900 0.28 505.7554321 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 619.2759 Annotation APC Peak:m/z Relative Intensity 175.3586426 0.03 187.0317078 0.02 221.0030212 0.01 243.1710205 0.03 251.0713806 0.08 265.3089600 0.05 267.5448303 0.04 269.0640259 0.16 271.2100830 0.17 279.0495911 0.06 283.1956177 0.06 285.2789001 0.13 287.2328186 0.09 299.2000732 0.56 302.7689209 0.07 309.1173096 0.29 311.2579956 0.14 313.0962830 0.07 315.1426392 0.05 317.4420776 0.06 329.2984924 0.03 336.5662842 0.04 337.3945923 0.04 341.4839478 0.06 347.1140747 0.01 351.5965576 0.02 354.5635986 0.03 355.2662354 0.13 359.6000366 0.09 368.2095337 0.03 389.1723633 0.08 394.1812134 0.08 396.2305298 0.13 397.3428955 0.02 401.4204102 0.01 404.0620728 0.02 406.4091187 0.22 410.3433228 0.03 412.9984131 0.04 414.9120483 0.10 418.4508667 0.16 420.2335815 0.08 421.3773193 0.02 422.0896606 0.21 430.3271484 0.04 434.3634033 0.92 436.2024536 2.22 437.2944946 0.14 438.8233032 0.05 442.0098877 0.03 444.3612061 0.15 446.2766724 1.78 448.3432007 0.12 449.1199341 0.03 450.4483032 0.16 452.3093872 0.04 454.2009277 1.31 454.9264526 0.01 455.8964233 0.12 459.3930664 0.02 460.4257202 0.24 462.3215942 45.76 464.2764893 100.00 464.9288330 0.25 466.2338257 1.51 469.1126709 0.15 470.1057739 0.04 478.4705811 0.10 480.2268677 42.56 480.8444214 0.12 481.5374756 0.03 482.6519165 0.11 486.5448608 0.07 496.1410522 0.04 497.2280273 0.11 498.4574585 0.16 500.4107666 0.02 501.5938110 0.11 502.8220825 0.02 504.2597046 0.09 515.3795776 0.03 519.4755249 0.04 537.3496704 0.03 544.9337769 0.13 547.0159912 0.05 547.8165894 0.04 553.2283325 0.21 555.5095825 0.15 557.2504272 0.06 559.2290039 4.81 559.9362183 0.06 561.5239258 0.04 565.3164062 0.04 572.8730469 0.06 575.4810791 1.48 583.3411255 9.09 587.4163208 0.23 588.2380981 0.26 591.2798462 0.43 600.6101685 0.20 601.2891235 6.18 602.1610718 0.37 602.9664917 0.12 604.3950806 0.04 610.5861206 0.04 619.5822144 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 841.3478 Annotation Unknow Peak:m/z Relative Intensity 246.1047821 0.61 276.1703491 0.20 294.1597900 0.21 297.3761597 0.40 299.2282715 0.53 309.1271667 0.16 311.1478271 0.58 314.9598999 0.85 325.3328552 0.19 338.9948730 0.34 344.7133789 0.12 353.4410400 0.56 355.0760803 0.15 356.5524597 0.13 367.2606812 0.59 369.2384033 0.27 371.4187012 0.58 374.7653198 0.18 375.4252319 0.26 386.3895874 0.10 401.3522949 3.57 433.2599487 0.39 438.3737183 1.00 450.2147827 0.37 458.6391602 0.24 461.3735962 0.70 464.3667603 4.87 465.5530396 0.51 473.1370239 0.10 474.3721313 0.12 482.4019165 0.42 487.1218262 0.52 490.3428955 0.75 492.4657593 0.11 494.2144775 1.44 496.2557983 1.18 503.5346069 1.13 507.9697876 3.56 514.3031616 0.55 519.1181030 0.23 520.4913330 0.73 521.0982666 0.45 522.3528442 14.94 523.6016235 1.43 526.0831909 1.45 527.5133057 0.23 539.9264526 0.16 554.4047241 0.24 555.9654541 0.46 563.1597900 0.11 571.1920776 0.35 573.1565552 1.22 574.5598755 0.45 578.9736328 0.22 585.5452271 0.32 587.4345093 1.35 593.3688354 0.09 602.3923950 1.09 603.3379517 7.00 608.5361938 0.24 611.4756470 2.04 612.4877319 1.84 619.3423462 2.93 626.3851929 24.17 627.2752686 1.52 628.1320190 0.80 629.3519897 4.65 634.3135376 0.72 639.3043213 0.37 642.6842041 2.27 643.3953247 31.10 644.8878784 0.28 646.6806641 2.59 647.4064331 52.24 651.5808716 0.71 652.4146729 36.15 653.4050903 0.90 654.3915405 0.22 660.9656982 2.96 661.6010742 1.66 665.4328003 0.34 666.5366821 0.39 670.2082520 8.61 671.6242676 1.63 677.2842407 2.85 678.6885376 22.78 679.4224243 85.68 682.1379395 0.19 684.3054810 60.78 685.2640381 2.51 693.5640259 0.54 702.2095947 0.98 710.1504517 0.30 727.7356567 0.23 728.4874268 0.56 749.0093384 1.53 755.6240845 0.89 765.6588135 1.10 766.5328979 1.22 773.2045288 1.64 774.9477539 0.25 781.3069458 1.22 791.3817139 12.33 805.1858521 15.15 808.6353760 16.95 809.3710938 100.00 810.0210571 1.31 811.0460205 0.11 813.4850464 0.81 814.8317261 0.11 820.1276245 0.23 822.6613159 2.59 823.3187866 4.48 824.3407593 0.45 826.4447021 2.61 829.4019775 1.30 831.5087280 0.28 840.6919556 0.97 841.6802979 0.31 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1125.2919 Annotation Unknow Peak:m/z Relative Intensity 315.3247681 0.02 329.3285522 0.05 329.9402161 0.04 331.2474670 0.08 332.1867371 0.03 369.2088318 0.06 373.0067139 0.03 397.4786987 0.03 426.8930359 0.09 429.2338257 0.07 431.4297485 0.05 475.1227722 0.02 479.0432129 0.05 519.1071167 0.11 527.3640747 0.08 547.3859253 0.05 548.3225708 0.08 603.3487549 0.01 617.3498535 0.20 619.4378052 0.03 620.4116821 0.08 625.2118530 0.06 626.4821777 0.02 631.2001953 0.06 638.0951538 0.05 639.1437988 0.02 655.4556885 0.02 656.3265381 0.07 659.3612671 0.07 667.3679199 0.14 668.2684326 0.02 669.5401611 0.02 697.2915039 0.05 750.9788818 0.02 753.2620850 0.11 769.2720947 4.54 770.3261108 1.81 779.3932495 0.07 780.5621948 0.01 783.3419189 0.02 787.2767334 22.87 788.3853149 6.82 794.9498291 0.02 799.3936768 0.06 801.3811035 0.55 802.3868408 0.38 811.3339844 0.19 812.4197998 0.16 813.0364990 0.04 813.9356689 0.16 817.7359619 0.02 829.2622070 0.27 830.2205811 0.03 831.3601074 0.43 832.1204834 0.10 843.1728516 0.02 854.7193604 0.05 873.4398193 0.13 880.7199707 0.04 905.4034424 0.03 917.5360107 0.02 925.4937744 0.03 931.3347168 2.37 932.3380127 0.82 945.2967529 0.20 946.2763672 0.13 949.3118896 15.63 950.4343262 5.97 951.4616699 0.01 961.4072266 0.12 963.2559814 100.00 964.3393555 39.81 976.2282715 0.30 993.3297119 0.27 1005.2464600 1.32 1006.2221680 0.64 1047.5701900 0.03 1081.3715820 0.12 1091.1772460 0.07 1093.0092770 0.08 1107.0322270 0.02 1107.6744380 0.05 1108.3698730 0.05 1109.9409180 0.12 1111.3256840 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 539.3221 Annotation Unknow Peak:m/z Relative Intensity 172.9940643 0.25 174.1852570 0.05 298.9636536 0.02 301.1920776 0.03 305.5531006 0.01 308.9216309 0.01 319.3922729 0.73 320.3174438 0.11 325.3690186 0.06 355.2858887 0.03 356.3160400 0.02 357.1638794 0.07 364.1622314 0.04 383.0763550 0.06 393.4514160 0.05 417.5617676 0.01 442.9721680 0.03 461.5607300 0.02 464.2182007 0.06 465.3651733 0.04 468.5570068 0.01 475.7280884 0.04 476.6541138 0.01 478.3880005 0.04 480.2031860 0.04 490.3967896 0.01 493.3931885 100.00 494.3745117 14.63 495.4307861 0.04 496.6091919 0.03 508.3340454 0.58 521.6511841 0.07 522.3079224 0.10 531.5056763 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 541.3018 Annotation Salvigreside C Peak:m/z Relative Intensity 343.4652100 0.00 458.8999023 0.02 477.6046753 0.04 495.3806763 100.00 496.3693237 12.57 497.0072632 0.03 503.0603638 0.04 523.3953857 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 677.3512 Annotation Cucurbitacin I 2-glucoside Peak:m/z Relative Intensity 191.3843842 0.04 192.9540405 0.12 199.1445618 0.11 201.3637085 0.14 205.3847351 0.03 207.3227539 0.06 209.1656189 0.14 211.2571411 0.18 213.3073425 0.11 215.2593842 0.05 219.0758667 0.24 227.2546539 0.49 231.2450867 0.06 233.3344727 0.35 239.2968140 0.10 241.0431671 0.06 243.2690735 0.06 245.4089966 0.10 247.1362610 0.48 249.3674927 0.32 250.2303467 0.12 251.1617432 0.26 253.2027435 0.49 257.2062988 0.05 259.2509155 0.12 261.2499084 0.13 262.9122925 0.39 265.4556885 0.08 267.3072815 1.46 268.1936951 0.22 269.2580566 0.28 271.1734619 0.13 273.3984375 0.03 275.1087646 0.15 279.2618103 0.05 281.2562561 0.18 283.4562683 0.44 285.2578735 7.55 286.2503357 1.28 287.2609253 0.27 290.9272461 0.04 293.4181519 0.02 297.3787231 0.14 299.2774658 0.26 301.2420044 0.07 302.2786255 0.06 303.2302246 0.13 305.2414551 0.47 307.3599854 0.24 309.4197083 0.40 310.5504761 0.05 313.5148315 0.03 315.2982178 0.34 317.2001953 0.50 321.4437256 0.05 323.3964233 0.39 325.5167847 0.09 331.4342957 0.18 333.3008423 0.13 335.2277832 0.28 337.5042725 0.44 338.3238525 0.05 338.9824219 0.02 342.1729126 0.02 347.5101929 0.25 348.4453735 0.17 349.4393921 0.25 351.1408081 0.30 353.2540894 0.33 355.4559937 0.10 357.2485352 0.97 363.1481934 0.09 365.3165283 0.12 369.3853760 0.08 371.4552002 0.20 373.4943237 0.12 375.4039917 2.18 381.4675903 0.40 383.3701782 1.81 388.9824219 0.08 391.4957275 0.12 393.3310547 12.04 401.2683105 0.23 407.8402710 0.04 411.3225098 100.00 411.9343872 0.34 425.3500366 0.12 427.3477173 0.12 429.3356934 69.79 430.0037231 0.11 432.5856323 0.06 442.4406128 0.03 452.3986206 0.16 461.2266235 0.06 462.4006958 0.09 465.1730347 0.29 471.3250122 0.12 482.4157715 0.11 484.2948608 0.15 485.3915405 0.06 493.0902100 0.04 495.2049561 0.07 499.2912598 0.06 501.2207642 0.19 502.7725220 0.07 510.2870483 0.12 512.0803833 0.04 514.2672729 1.08 515.2914429 0.10 518.2410889 0.17 519.3303833 0.16 520.4315796 0.93 522.2699585 1.17 523.4743652 0.24 536.1494751 0.25 537.1075439 0.08 544.2808838 0.15 549.2719116 0.13 551.1974487 0.10 553.2720337 0.04 560.9990845 0.12 573.4140015 0.20 576.2360229 0.07 580.4064331 0.08 583.4221191 0.11 586.7960205 0.08 588.2138062 0.18 591.4710083 0.27 593.3303833 0.06 594.1331177 0.14 597.3786011 0.77 598.5062866 0.05 601.3093872 0.03 604.6780396 0.03 605.4238281 0.06 615.3784790 5.71 616.4765625 0.01 617.8767090 0.14 622.1578369 0.27 622.7753906 0.12 623.4951782 0.17 624.4490356 0.26 626.2359009 0.04 627.5167847 0.64 628.5983276 0.08 629.9332886 0.05 631.4981079 0.28 633.2307739 0.68 640.2846069 0.46 641.3140259 2.81 644.2347412 1.46 645.2755737 3.72 647.0827026 0.15 649.3280640 0.71 657.2899170 0.14 658.5140991 3.60 659.3467407 16.29 660.3866577 0.10 668.2212524 0.09 677.8375244 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1291.566 Annotation Unknow Peak:m/z Relative Intensity 423.5457458 0.51 438.2994385 0.04 440.3680420 0.07 467.3356018 0.09 468.5985718 0.24 481.8147888 0.05 485.4652100 5.24 486.5190430 3.91 487.5804443 0.50 526.5465088 0.09 527.2238770 0.24 528.6228638 0.49 529.4188843 0.07 541.3460083 0.12 553.6618042 0.16 613.1872559 0.10 632.0631104 0.19 638.3359375 0.04 655.5058594 0.21 673.6074219 0.19 674.5903320 0.32 732.4643555 0.16 741.6181641 0.16 742.7479858 0.35 743.6802368 0.23 759.5106201 0.09 760.6254883 0.06 776.5935059 0.29 794.0032959 0.46 794.6372070 0.34 802.4204102 0.05 818.8359375 0.06 835.7395020 0.30 921.2886963 0.12 922.2585449 0.07 923.6209717 0.42 939.5522461 3.01 940.5682373 11.88 941.6087646 3.68 953.8417969 0.32 954.9509277 0.23 981.7120361 33.77 982.5718994 100.00 983.5653076 26.87 984.1752930 0.15 995.6398926 0.06 1039.5156250 0.06 1068.5872800 0.08 1077.4771730 0.08 1078.6989750 0.15 1095.5777590 0.05 1114.7430420 0.16 1122.3151860 0.23 1126.4068600 0.53 1127.5382080 0.17 1129.6828610 0.68 1130.4067380 2.37 1131.5351560 1.04 1144.7384030 0.10 1146.6632080 0.19 1158.6256100 0.84 1159.7182620 0.59 1160.4923100 0.85 1161.9482420 0.05 1170.3236080 0.58 1170.9577640 0.12 1171.6352540 0.09 1183.6521000 0.22 1186.4567870 0.81 1187.5654300 0.40 1188.4833980 1.06 1189.5805660 0.45 1204.8701170 0.04 1228.5202640 0.21 1230.3405760 0.25 1231.5523680 0.22 1246.4569090 4.20 1247.4973140 1.38 1255.3726810 0.24 1262.2753910 0.12 1272.6369630 1.47 1273.6884770 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 711.1561 Annotation Unknow Peak:m/z Relative Intensity 199.1638336 0.01 200.1207733 0.01 200.9381561 0.01 202.2955627 0.02 203.3083496 0.00 205.0369263 0.02 208.4283447 0.01 215.0826569 0.06 216.0538940 0.12 217.0784149 0.08 218.9320374 0.01 220.9881287 0.01 223.2961578 0.01 230.0937958 0.01 231.0853119 0.16 233.1954956 0.15 244.1199341 0.03 247.1264954 0.03 249.1507874 0.02 259.1867065 1.35 260.3115234 0.08 275.1969604 0.04 286.2143860 0.04 286.8498840 0.01 289.0148926 0.08 290.2303162 0.02 291.1096802 0.02 292.2053223 0.03 293.1898804 0.05 301.0018921 0.20 302.2182922 0.01 308.3224487 0.01 314.0315552 0.04 315.4069824 0.03 323.4016113 0.01 327.1512451 0.03 328.5954590 0.04 329.2540283 0.91 330.2382812 0.13 333.2083130 0.10 334.2064819 0.03 337.1219482 0.07 341.3120728 0.03 344.1038208 1.15 345.0826416 0.13 346.4309998 0.01 351.1534424 7.76 352.2326050 0.46 354.1689453 0.04 357.3684692 0.07 359.1395874 4.72 360.2530518 0.57 369.2037354 0.22 370.4919434 0.02 371.4658203 0.04 372.1627197 0.19 373.2225342 0.06 381.3648682 0.01 385.4202881 0.07 386.0938110 0.00 395.1143799 0.04 396.3889160 0.01 399.4109497 0.01 401.1599121 0.39 402.1351318 0.08 411.9216919 0.06 413.4127808 0.00 423.5284424 0.03 427.3657837 0.03 442.2976074 0.04 443.3607788 0.05 455.2434082 0.26 456.2750854 0.13 457.2932129 0.09 458.2276001 0.01 473.2606812 0.18 474.3229980 0.01 477.0507202 0.03 487.1914062 0.30 488.2062988 0.06 492.3986206 0.00 499.1294556 0.03 501.1130981 0.08 502.3325806 0.16 503.5311890 0.28 517.2055054 100.00 518.1792603 13.31 519.0376587 0.25 520.1541748 0.04 535.2626343 0.02 536.4198608 0.02 548.4584351 0.01 549.2686157 0.02 550.8198853 0.03 556.3691406 0.04 561.9408569 0.01 568.6079712 0.01 581.9197998 0.04 588.2647705 0.03 589.1447144 0.03 608.6074829 0.01 622.9624634 0.01 624.3765259 0.08 657.0004272 0.01 660.5569458 0.03 661.6330566 0.01 665.4345703 0.05 666.8388672 0.05 668.2308960 0.07 679.1266479 0.01 690.5151978 0.03 693.2497559 0.08 702.4721069 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 523.1071 Annotation 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide Peak:m/z Relative Intensity 296.4714355 0.02 332.1472778 0.19 347.1319580 100.00 348.2733765 0.30 371.2569580 0.05 443.1420288 0.09 469.1346436 0.08 505.0665283 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 731.2898 Annotation Antibiotic A 32Y3 Peak:m/z Relative Intensity 209.2084045 0.06 245.6056671 0.13 246.2902069 0.04 252.1070557 0.02 258.4149780 0.01 263.1161499 0.02 266.1741943 0.02 271.0674133 0.16 272.3767090 0.07 281.1934204 0.18 283.1366272 0.01 285.4345703 0.03 289.1687622 0.09 295.5395508 0.01 297.1143799 0.01 299.1376953 1.34 323.2941284 0.01 325.1460571 0.05 327.3110352 0.02 335.3344116 0.04 337.3449097 0.01 339.1563110 0.02 341.3119507 0.32 345.0352783 0.02 349.2271423 0.04 357.1964111 0.02 359.2175293 0.13 367.1468506 0.35 369.1519165 0.05 371.3682861 0.02 372.1524048 0.03 373.2737427 0.05 385.1033325 1.34 387.3617554 0.03 393.2794800 0.04 399.2396851 0.80 401.2146606 0.13 411.1828613 0.35 413.3863525 0.23 415.2470093 0.06 416.1680298 0.03 420.6635742 0.03 428.8201904 0.11 429.7864380 0.16 430.4864502 0.33 442.9696045 0.32 445.2145996 1.55 448.3654785 0.67 460.3980713 0.68 472.0988770 0.12 478.2153931 0.04 480.3892822 0.19 490.3302002 0.06 492.2553101 0.53 518.4266968 0.18 519.2993774 0.11 520.3405762 0.07 522.3971558 0.09 532.1463013 0.29 532.7576294 0.07 534.3306885 0.09 535.3895874 0.28 536.2562256 0.32 562.2302246 0.50 563.1999512 0.82 564.3499146 1.30 566.2063599 0.02 567.2825928 0.12 576.3257446 6.13 577.9193115 0.31 578.7162476 0.05 585.0629272 0.12 590.4172974 0.03 595.2580566 0.81 596.5423584 0.10 608.2417603 13.49 609.3226929 0.59 610.3515015 0.02 611.6959839 0.04 613.3696289 2.12 627.1801147 0.07 631.0994873 0.04 637.5161133 0.19 645.2997437 2.12 653.2974854 0.04 655.3450317 4.39 656.4151001 0.01 657.2971802 0.25 671.3541870 0.11 681.3788452 3.24 687.4014282 1.35 699.2987671 100.00 700.0045776 0.11 703.7758789 0.05 713.2880859 0.93 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 953.44 Annotation Betavulgaroside I Peak:m/z Relative Intensity 291.3365479 0.05 455.3734131 0.31 551.6292725 0.09 569.6065674 2.95 581.5393677 0.03 609.4967041 0.39 611.5775757 0.21 613.5352173 1.27 623.7732544 0.09 627.5942993 3.87 630.9760742 0.26 631.6015015 4.34 653.6448364 0.05 669.3330688 0.29 671.2521362 0.14 671.9713135 0.02 673.4484253 0.98 687.5416260 0.27 713.6823120 0.02 715.3708496 0.02 719.8806152 0.07 729.1494141 0.09 729.7582397 0.27 730.7763062 0.04 747.4176636 1.69 748.0852661 0.01 771.4236450 0.06 775.4894409 1.65 789.5731812 11.66 791.7893677 0.09 793.5811157 71.83 805.2403564 0.16 821.4036255 0.48 833.5451050 8.47 847.4953003 0.07 849.4292603 1.75 850.0302734 0.07 851.4699097 30.98 852.1734619 0.04 863.6033936 0.05 865.8684692 0.06 877.5269165 0.09 881.5095215 0.92 891.4821777 0.37 893.0302124 0.32 893.8996582 0.55 894.5600586 0.94 895.1755981 0.35 909.4607544 100.00 910.1915894 0.11 934.5636597 0.07 935.4535522 1.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 487.0392 Annotation Unknow Peak:m/z Relative Intensity 158.9509277 4.12 199.0785217 0.54 200.8056641 0.11 217.2087402 0.10 229.0537109 1.95 242.9683838 0.52 271.1740417 0.10 273.0202637 100.00 284.9201660 0.32 306.2918091 0.85 307.3344727 0.06 312.6766052 0.19 327.1468506 0.22 329.0715942 0.10 331.8419189 0.24 340.5567627 0.29 341.4797363 0.08 343.0994873 0.19 354.1135864 0.16 370.9899902 0.15 372.0340576 0.18 373.2037964 3.33 374.1104431 0.10 375.2207947 0.36 381.2101746 0.16 393.0967102 0.21 395.0442505 0.09 397.0185852 0.33 400.5219727 0.05 403.1227417 0.34 411.3511047 0.11 412.4576111 0.31 413.1545105 1.40 414.2245178 0.30 427.2584534 0.17 430.7872314 0.31 431.8904419 0.07 440.1714783 1.11 441.1135559 2.58 442.2452393 0.11 442.9371948 1.57 443.9456482 0.09 451.3742371 0.12 458.8229065 0.21 459.8746643 0.16 463.8339539 0.35 467.6109924 0.09 469.1229553 1.35 476.0116882 0.20 477.5747986 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1233.5587 Annotation Unknow Peak:m/z Relative Intensity 409.6625061 0.08 425.2371216 0.11 437.3377075 0.14 439.4315186 0.51 479.6087952 0.09 483.4249878 0.08 497.5888062 0.24 501.2718811 1.21 501.8803711 0.09 525.7075195 0.28 543.3818970 0.92 585.0441895 0.15 615.0682983 0.16 629.5352783 0.28 677.4923706 0.93 717.4187012 0.40 719.6223755 0.06 793.6234131 0.08 809.3319092 0.32 907.6051025 0.12 925.5170898 1.90 995.7908936 0.17 1057.6214600 100.00 1171.4804690 0.58 1173.9149170 0.08 1189.9443360 0.23 1215.5742190 0.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 955.4562 Annotation Penicilloside B Peak:m/z Relative Intensity 289.1722717 0.09 307.0520020 0.15 365.3879395 0.28 370.6095886 0.06 395.3501587 0.16 405.7871094 0.02 415.5127563 0.12 421.5411987 0.16 423.3190918 0.16 425.3900146 0.24 430.4232788 0.03 433.6224976 0.33 437.6133423 0.24 439.4207153 0.32 449.3637695 0.20 451.4860840 0.16 455.4991455 1.45 463.4548340 0.26 467.3973389 8.79 467.9989014 0.21 469.6791382 0.22 481.4913330 0.45 483.2033691 0.35 485.4345093 25.23 486.2282104 0.11 487.5219116 5.83 491.5189819 0.06 493.7876587 0.09 499.1595459 0.22 500.2865601 0.12 501.3655396 0.11 507.7106323 0.10 509.4933472 0.89 511.3926392 0.06 513.5018921 3.62 515.1806030 0.02 519.7246094 0.10 521.6416016 0.39 525.7445068 0.23 527.6041870 0.79 533.4237061 0.05 535.3544312 0.22 541.4058228 0.46 543.4920654 0.32 545.4215088 0.07 549.4795532 0.06 553.4802856 1.33 555.4729004 0.06 563.4503784 0.31 567.4816284 5.64 569.5340576 0.05 579.7774658 0.24 581.4119263 27.41 582.0420532 0.16 583.5433960 0.81 589.4186401 0.06 599.5737915 17.34 601.4895630 0.81 613.5432739 0.15 614.1690063 0.15 617.3955078 0.43 625.5051270 2.40 631.5864258 0.28 643.5147095 4.09 644.8595581 0.05 661.3888550 0.73 663.6456909 0.09 691.7371216 0.05 705.1862183 0.18 711.2395630 0.05 731.6223755 5.85 747.7899780 0.03 749.4526978 2.04 750.0857544 0.22 763.4592896 1.23 775.4066162 0.35 779.8130493 0.21 787.5204468 0.10 793.4921265 100.00 794.0927124 0.59 794.8635864 0.03 806.4060059 0.04 823.4950562 7.85 824.5187378 3.39 825.5160522 1.43 835.5424194 1.83 839.5280151 0.17 877.4620972 0.22 895.3805542 0.18 896.1535645 0.11 937.7676392 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 583.4131 Annotation Pectenol B Peak:m/z Relative Intensity 163.1416931 0.09 165.1068878 1.39 166.1305695 0.17 167.0086975 0.67 168.1763306 0.15 169.1453857 1.14 170.1805878 0.10 171.0176697 0.74 172.9993286 1.29 175.0947723 0.91 177.0117645 0.15 177.9841003 0.20 179.2589417 1.00 180.0469666 0.24 181.0885773 1.06 183.1917114 1.74 184.9233398 2.09 186.2547760 0.17 187.1328125 1.08 189.1914673 1.14 191.1566467 0.32 192.1913757 0.16 193.2684174 0.52 194.0135498 0.22 195.0185089 1.44 196.0772400 0.38 197.2581482 1.75 198.2497711 0.17 199.2715302 0.70 200.0267181 0.10 201.1117249 1.01 203.1562805 1.33 204.0959320 0.04 205.0333557 0.10 206.2366943 0.39 207.0914307 2.55 208.1482544 0.64 209.2568665 2.48 210.6101074 0.56 211.2871094 1.33 212.1679535 0.30 213.3249969 0.52 214.1434326 0.26 215.3453979 0.36 216.2817230 0.18 217.1949463 0.88 218.1283417 0.30 219.2858887 0.40 221.0768433 11.95 222.1871643 1.72 223.2057190 2.46 224.1039276 0.42 225.2750549 1.06 226.2256317 0.69 227.2007446 0.39 229.2271729 0.21 231.0692139 0.50 232.1846466 0.55 233.1569824 1.43 233.9975891 0.16 235.2191162 1.53 236.2326965 0.61 237.2211609 1.17 238.9557037 2.34 239.9349213 0.34 240.9960632 0.34 241.6441956 0.04 243.2517242 0.49 244.2470551 0.03 245.2810059 0.07 246.5548401 0.73 247.2026367 1.82 248.2861633 0.58 249.2276459 1.21 250.1450653 0.21 251.2583313 1.08 252.2269287 0.50 253.2297821 2.04 254.2924500 0.32 255.1704407 0.50 255.7898407 0.13 256.7180786 0.31 257.3973389 1.14 258.2697449 0.35 259.3565369 1.21 260.2947083 0.40 261.2615356 1.93 261.9392090 0.08 263.2055359 1.87 265.1624146 1.72 266.2629089 0.27 267.1419983 0.39 268.3228149 0.39 269.2187500 1.08 270.6903687 0.55 271.4129333 0.65 272.0491943 0.09 273.0818787 0.99 274.2971497 0.58 275.2272339 2.48 276.3128967 0.50 277.2354431 1.88 278.2713623 1.04 279.2782593 2.20 280.3107910 1.12 281.2074585 1.13 283.2846680 3.23 284.4223633 0.61 285.2096863 0.73 286.2317200 0.75 287.2344971 2.27 288.3288574 1.03 289.1977539 0.90 290.5697021 0.45 291.3853149 0.77 292.2826538 0.23 293.2919312 1.11 294.3692627 0.13 295.4003601 2.45 296.6634521 0.72 297.4933472 1.68 298.4753418 0.68 299.3048706 1.16 300.2481079 0.76 301.3111572 1.89 302.1152344 0.21 303.3687744 0.70 304.4028320 0.41 305.4017334 0.36 306.1497498 0.31 307.2815552 1.94 308.2638550 0.33 309.3619995 0.97 310.3468018 0.26 311.3159790 0.73 312.2855835 0.61 313.2918091 2.15 314.3763428 0.07 315.3465576 0.97 316.3013306 0.61 317.3183594 0.81 318.4899902 0.42 319.2881470 1.52 320.5759277 0.31 321.2266846 0.27 322.2927856 0.17 323.0433960 0.41 324.2949219 0.66 325.4981079 0.47 326.3788452 0.48 327.2905884 0.30 328.4859619 0.25 329.4091187 0.68 330.5113525 0.60 331.3175049 0.73 332.3114014 0.36 333.2803955 0.56 334.3562622 0.22 335.2938232 0.88 336.7127075 0.06 337.5280762 0.32 338.4926758 0.21 339.3194580 0.43 339.9767456 0.06 341.3825684 0.74 342.3967285 0.08 343.3956299 0.49 344.3724976 0.16 345.2714233 1.53 346.2424927 0.18 347.3667603 2.24 349.2443848 1.94 350.3972778 0.26 351.3071899 0.59 352.4871216 0.76 353.4341431 1.26 354.4931641 0.31 355.2868652 0.97 357.2981567 5.10 358.3979492 1.32 359.4035645 0.70 360.3804932 0.46 361.0015869 0.84 361.8938599 0.76 363.1653442 1.19 364.2960815 0.32 365.3427734 2.42 366.2805176 0.85 367.5846558 0.29 369.4177246 0.94 370.5816650 0.11 371.4462891 1.10 372.2609863 0.07 373.3173218 0.95 375.2778931 9.61 376.2938232 3.35 377.3451538 1.13 378.6428223 0.42 379.3828125 0.93 380.2561035 0.58 381.4936523 0.65 382.6209717 0.30 383.4363403 0.69 384.1002197 0.19 384.7900391 0.12 385.4209595 2.65 386.4094238 0.76 387.2603760 0.14 388.4554443 0.18 389.3601074 0.31 390.2035522 0.46 391.2494507 1.24 392.3078003 0.48 393.4647827 0.13 394.7970581 0.28 395.5504150 0.14 396.5856934 0.22 397.4331665 0.07 398.5994263 0.67 399.4229126 0.70 400.4698486 0.33 401.4039917 1.22 402.6283569 1.19 403.4039307 9.23 404.4585571 3.04 405.2164917 0.12 407.4600830 0.22 409.4352417 0.73 410.5212402 0.23 411.3138428 0.26 412.3465576 0.44 413.3745728 0.78 414.2130737 0.13 415.6453857 0.51 417.6070557 0.18 419.2313232 0.76 420.1663208 0.06 421.6402588 0.38 422.6549683 0.30 423.4801025 0.91 424.4523315 0.48 425.5057373 0.85 427.0339966 1.73 428.0996094 0.49 429.3358154 1.22 430.5359497 1.16 431.2617798 0.59 432.2371216 0.09 433.4008179 0.25 434.4797363 0.14 435.3325806 0.31 436.5283203 0.28 437.3710327 1.12 438.4144897 0.92 439.5612183 0.43 441.5092773 0.12 442.2770386 0.10 443.3822632 0.59 444.7486572 0.83 445.5712891 0.36 446.6787109 0.63 447.5270386 0.17 448.5172119 0.05 449.6546631 0.52 450.5560303 0.14 451.6359253 0.31 452.7276611 0.57 453.4724731 0.14 454.6948853 0.62 457.2735596 0.17 458.3712158 0.12 459.4818115 0.43 460.2241821 0.13 461.7603760 0.22 462.4528198 0.08 463.3777466 0.30 464.4762573 0.11 465.2360229 0.70 466.4439697 0.15 467.6282349 0.43 468.4779053 0.21 471.2888184 0.51 472.4843140 0.36 473.6292114 0.16 474.2424316 0.24 475.4312134 0.15 476.6839600 0.30 477.3194580 1.42 478.3749390 0.45 480.0446777 0.12 481.2736816 0.33 482.2838135 0.15 483.2268677 1.02 484.2921143 0.19 485.4656372 1.37 486.5317993 0.41 487.2814941 0.07 489.5117798 0.48 491.3865967 9.35 492.3487549 3.09 495.4329224 0.27 496.3578491 0.26 497.5151978 0.44 498.5800171 0.07 499.4296265 0.53 500.6250610 0.12 501.4600220 0.08 502.1923218 0.03 503.3684082 2.91 504.7425537 0.54 505.5811157 0.22 507.1813965 0.17 508.3822632 0.19 509.4057007 4.13 510.3807983 1.40 511.1223145 0.08 511.7608032 0.03 517.5789185 0.12 518.4763184 0.05 520.5233765 0.09 523.0393066 0.28 523.8134155 1.06 524.8882446 0.20 525.5079956 0.11 527.2861328 1.89 527.9190063 0.06 528.5372925 1.01 529.5478516 0.69 530.8038940 0.36 532.5722656 0.28 537.5714111 0.06 539.3339844 0.28 542.5680542 0.05 547.5281982 8.74 548.5605469 2.94 550.4090576 0.16 552.9207153 0.21 555.6418457 0.12 565.4582520 100.00 566.4507446 36.97 567.2449951 0.30 569.6016235 0.10 583.6913452 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 565.192 Annotation Fraxiresinol 4'-O-beta-D-glucopyranoside Peak:m/z Relative Intensity 178.9584198 0.18 193.0534363 0.06 205.3470459 0.11 206.9985504 1.36 224.9205933 0.08 258.9668884 0.05 262.5498047 0.08 264.1531677 0.07 307.2473755 0.09 308.3832397 0.08 309.1660767 0.31 311.0391846 0.13 312.0997925 0.19 315.0213318 0.05 323.3350830 0.08 324.2093506 0.84 325.3753662 0.10 327.2814941 63.34 339.1553345 100.00 339.7577515 0.48 343.1727905 0.16 352.1889648 0.03 353.9212646 0.02 356.2142944 5.92 356.9263306 17.30 359.1983032 3.45 371.1058960 0.20 379.1258545 0.13 384.4501953 0.80 385.5194702 0.23 388.3082275 0.16 396.2242432 0.09 399.5229492 0.06 403.2565308 1.26 404.2226562 0.10 413.9681396 0.04 428.3307495 0.15 432.2323608 0.16 432.8510132 0.08 441.5167847 0.14 444.1187744 0.05 445.4553833 0.06 461.1249390 0.05 462.4617310 0.09 465.0473633 0.05 469.0169067 0.09 472.1553345 0.11 475.3232422 0.36 477.2413330 0.08 481.3700562 0.07 502.9838257 0.06 505.3330688 3.19 516.2926636 0.05 518.3887329 3.09 519.1993408 2.69 520.7097778 0.21 521.3217773 0.50 522.2481079 0.16 527.3314819 0.79 528.4111938 0.30 529.5469971 0.14 533.1907959 0.94 542.4108887 0.04 543.3747559 0.03 546.1290283 0.20 547.4180298 0.55 549.1712036 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 437.9716 Annotation Unknow Peak:m/z Relative Intensity 127.6837158 0.03 132.9802856 0.18 134.9969025 0.09 141.9550476 0.05 144.2955017 0.03 146.9513092 0.11 151.8779449 0.05 155.2542419 0.08 161.0230713 0.17 170.1702576 0.21 177.0077515 0.10 179.1283264 0.12 182.1690063 0.20 187.1749573 0.22 188.2140045 0.18 190.7544250 0.07 196.7683258 0.05 198.1831360 0.05 198.8688049 0.10 200.4651642 0.26 204.2831116 0.15 211.1228943 0.15 213.2953491 0.11 218.0871124 0.05 218.8253937 0.18 221.1752472 0.53 222.2754822 0.10 225.5941620 0.12 226.9522552 0.05 228.4622498 0.09 229.9167480 0.10 233.2382202 0.10 235.0854187 0.03 239.0880127 0.37 241.9679565 0.06 243.9139404 0.09 246.2594604 0.05 249.1989441 0.08 254.9115601 0.27 257.0180054 0.09 259.2929382 0.12 260.0394592 0.12 262.4135437 0.19 265.0179138 0.06 269.0113525 0.31 271.8203735 0.34 272.4812927 0.16 273.2348022 0.08 274.0396423 0.22 275.1771545 0.72 276.3045959 0.34 277.6612854 0.17 278.3174133 0.15 279.2315674 0.35 281.2211304 0.11 282.4825439 0.47 283.2009277 0.37 287.7170105 0.03 289.3405762 0.10 290.2541504 0.13 290.8680420 0.31 294.0992432 0.17 297.2568970 0.83 302.4364319 0.14 303.1396790 0.22 304.0133057 0.18 305.3876953 0.59 306.0365906 0.04 308.1515198 0.68 309.0264282 0.22 314.2403564 0.05 316.0151062 0.36 316.9160461 0.14 317.7312317 0.52 319.8353577 0.57 320.8108521 0.05 322.7084045 0.23 323.5029297 0.08 329.4838257 0.03 330.9417114 0.07 332.1315918 0.21 333.1793823 0.17 334.0467529 0.64 335.1330872 0.15 337.4812317 0.08 338.3204041 0.13 339.3787231 0.07 341.3199768 0.26 344.3968506 0.10 346.9433594 0.33 347.9401855 1.08 349.3311462 0.20 351.0740051 0.13 353.4219360 0.24 355.5892944 0.15 356.7359314 0.13 358.1150818 0.23 362.3928223 0.04 364.5190735 0.09 365.4020996 0.09 375.0509949 0.06 375.8185120 0.45 377.9515991 0.37 381.1910706 0.05 389.1764221 0.08 391.2676697 0.15 392.3351746 0.29 393.9870911 100.00 394.7844238 0.25 401.0113525 0.32 402.4544983 0.17 404.8370361 0.48 406.2342224 0.09 407.1203308 0.62 409.0670471 0.23 410.6399231 0.29 419.1720886 3.83 420.1192017 5.62 420.9766235 0.29 428.4967957 0.58 429.6717834 0.03 431.2808533 0.15 437.2161560 0.24 438.2848206 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1421.6243 Annotation Unknow Peak:m/z Relative Intensity 439.4575500 0.34 455.5882568 0.07 483.4911499 0.09 484.5708008 0.30 501.2233276 2.03 502.5172729 0.25 543.4897461 0.81 579.2749023 0.18 648.2900391 0.56 671.6147461 0.29 733.6840210 0.57 775.5151367 0.89 809.6921997 0.81 907.7308350 0.18 919.5273438 0.28 920.6595459 0.11 943.5471191 0.06 963.3653564 0.35 964.6628418 0.29 967.1251221 0.07 982.9294434 0.47 1041.4953610 0.57 1051.3997800 0.12 1053.4581300 2.57 1054.4699710 0.17 1071.5485840 3.65 1072.6228030 1.60 1083.6254880 0.67 1113.5856930 100.00 1114.5570070 36.52 1275.4534910 0.19 1276.4414060 0.48 1277.7531740 0.97 1289.4549560 1.49 1291.0490720 0.30 1317.4896240 0.19 1403.1435550 1.01 1403.8334960 0.44 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 373.1136 Annotation Arborescosidic acid Peak:m/z Relative Intensity 112.9888077 0.25 116.1877518 0.17 118.7971191 0.20 130.6319122 0.15 142.5720215 0.23 145.1696014 0.06 149.9648132 9.43 161.1376953 0.73 162.8941345 0.07 164.9911499 100.00 166.8942261 0.14 169.1427917 0.36 179.1701813 0.20 207.0340881 11.13 210.3783569 0.05 211.3251038 0.10 234.1308899 0.11 237.7655945 0.13 251.1354370 0.12 253.3640442 0.07 254.0247803 0.09 269.0353088 0.12 282.2908325 0.05 299.2822876 0.23 300.1586304 0.14 312.2085571 0.09 313.2063599 0.34 325.2695007 0.46 326.7246094 11.66 328.1741943 0.85 329.3340759 0.59 339.1782532 0.06 354.0915833 0.18 355.2733765 0.29 357.1970520 0.09 358.1117249 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 627.1959 Annotation Unknow Peak:m/z Relative Intensity 178.1669006 0.03 192.2677917 0.02 233.3687744 0.02 241.2230377 0.01 257.0966797 1.86 259.0597839 1.94 260.3548584 0.01 270.1697083 0.01 271.2435913 0.01 271.9159546 0.03 287.2661438 0.02 291.0938721 0.02 299.0169067 0.05 305.2924805 0.09 314.9979553 0.01 323.3310547 0.27 324.1544800 0.10 328.1763916 0.05 329.5234375 0.03 332.2197876 0.05 337.1864624 0.01 342.1898193 0.01 357.1609497 0.07 363.3937988 0.02 366.4122925 0.03 374.2722778 0.03 375.8766479 0.02 377.3360596 0.02 378.0149536 0.04 387.1212158 0.01 392.2713623 0.03 405.5487061 0.02 411.4295044 0.01 413.5943604 0.03 421.3977661 0.02 428.4277954 0.03 430.2924194 0.06 433.0842896 0.02 434.7463379 0.07 437.4674683 0.12 443.3206787 0.03 446.6294556 0.02 447.6066895 0.07 449.3668213 0.23 450.3565063 0.09 451.4722290 0.01 453.3951416 0.01 463.3380127 0.44 465.2632446 100.00 466.2101440 2.58 467.5276489 0.02 474.8935547 0.01 475.7312012 0.01 493.2662354 0.03 494.4854736 0.04 495.4321289 0.16 503.5691528 0.03 505.5749512 0.01 507.2493286 0.10 519.4465942 0.03 522.7592163 0.02 529.3189697 0.04 530.1870117 0.04 535.4233398 0.02 537.3103638 0.18 540.4035645 0.06 542.1947632 0.08 550.3259277 0.01 551.3442993 0.04 567.5316772 0.03 577.4851074 0.01 581.3253784 0.24 581.9634399 0.04 583.1964111 0.11 586.5966797 0.01 592.3478394 0.04 594.3633423 0.05 595.3709106 0.04 596.3294067 0.04 597.2932129 0.02 599.4739380 0.18 600.4753418 0.07 603.6079712 0.03 606.2766724 0.01 608.3136597 0.04 609.3755493 0.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 337.0776 Annotation L-Ascorbic acid-2-glucoside Peak:m/z Relative Intensity 98.8575592 0.23 100.9782410 0.47 110.9788971 1.14 112.0515442 0.06 112.9261551 2.61 113.9278336 0.03 114.9825745 8.68 118.9639740 0.28 119.8783493 0.02 124.8607330 0.22 126.9507446 1.43 129.0000610 0.73 130.9866028 1.23 137.1501770 0.14 138.9343719 1.65 141.0082397 0.04 143.2824249 0.12 146.9746399 0.03 148.9687195 0.18 152.9452209 0.18 155.0021362 0.40 156.9837646 1.78 158.8689270 0.27 160.9577942 0.61 167.4922180 0.05 169.0025940 1.52 173.1660461 0.10 173.9423218 0.96 174.9119873 1.18 179.1018982 0.11 180.8999939 0.06 189.1267853 0.06 193.2506866 0.13 199.3025818 0.05 209.1743774 6.17 210.8390808 0.02 216.3830872 0.01 217.0209961 0.10 219.1447754 0.15 221.1716003 1.51 229.1016541 0.06 247.0483398 6.37 249.2881470 0.17 258.9368591 0.47 277.0741272 100.00 278.0871277 0.09 287.1907959 0.11 288.7733765 0.07 291.1295166 0.26 297.7933350 0.05 299.2317810 0.10 302.7911072 0.03 304.7384644 0.10 307.9617920 0.03 309.3074951 0.20 319.2201538 1.86 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 613.1567 Annotation Oxidized glutathione Peak:m/z Relative Intensity 177.0719147 0.15 199.1837921 0.09 200.1209869 0.02 208.9944000 0.28 211.0302124 0.35 211.9280853 0.07 231.1370239 0.33 234.1587524 0.02 235.2482147 0.05 235.9150696 0.01 238.1367950 0.04 242.1143799 0.02 245.0561829 0.02 254.3461914 0.02 256.0180969 0.14 257.0847778 0.08 262.1829834 0.05 269.0438538 0.04 271.3163147 0.04 274.0540161 0.08 289.0349121 0.02 298.2146606 0.06 305.4323120 0.02 307.3515625 0.34 309.0654907 0.03 311.3429260 0.02 319.1006470 0.03 321.0599365 0.02 322.1974487 0.04 323.4376831 0.05 337.0564575 0.55 337.9536743 0.08 339.1666260 0.02 340.2216797 0.08 341.3570557 0.02 349.1410522 0.16 355.1600342 58.11 356.2249146 15.12 370.2555542 0.03 381.3288574 0.04 391.6012573 0.03 392.3476562 0.04 409.1889648 3.55 410.1820679 0.77 415.0537109 0.02 422.2966309 0.03 428.3935547 0.03 461.9112549 0.04 466.1563721 3.70 467.1726074 1.79 467.7828369 0.03 468.4417725 0.01 473.2849121 0.04 484.1475220 100.00 485.2319336 32.35 509.5454712 0.04 515.7687988 0.02 520.2315063 0.01 521.4226685 0.18 538.2064819 2.22 539.2980347 0.99 569.4193726 0.02 577.2188110 0.14 595.1933594 16.72 596.2642822 9.39 596.9176025 0.01 613.6447144 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 323.117 Annotation Unknow Peak:m/z Relative Intensity 96.8143845 100.00 98.7169189 0.12 235.2075500 0.21 264.0731201 0.34 276.1667480 0.48 277.4389038 0.42 293.3049316 0.24 295.1817017 0.65 305.1228638 14.10 323.0848083 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 783.3813 Annotation Pregnadienolone-3-O-beta-D-gracillimatriose Peak:m/z Relative Intensity 223.8610077 0.04 231.2555847 0.09 241.0790863 0.03 255.4775848 0.02 259.3987427 0.02 278.9782104 0.03 281.1989441 0.02 289.1161194 0.04 307.3817749 0.08 323.0413208 0.04 334.6386414 0.17 337.2517700 0.51 341.4243774 0.10 344.2862549 0.08 357.1998291 0.69 363.3983154 0.07 371.2948608 0.43 375.5580444 0.08 377.0799561 0.06 383.0040283 0.09 384.4724731 0.04 391.7686768 0.05 394.1142578 0.05 401.2302246 0.04 407.3792725 0.07 409.4843750 1.10 412.4523315 0.14 427.4955444 5.80 428.6707764 0.04 445.4025269 0.66 455.6052246 0.03 461.4998169 0.04 466.0175781 0.04 467.5701294 0.04 469.6949463 0.04 474.3203125 0.08 481.3623657 0.05 491.4284668 0.03 492.0928345 0.15 493.4118652 0.16 499.3257446 0.12 501.4310303 0.14 504.4254761 0.19 511.4691162 0.08 515.3786621 0.39 516.4487305 0.62 519.2792358 1.02 523.2527466 0.04 529.1940308 0.09 531.4671021 0.10 533.4946289 3.65 534.4682007 0.04 535.6398926 0.06 537.4807739 0.20 538.5814209 0.17 539.3224487 0.04 541.4508057 0.12 547.3900146 0.03 553.3972778 0.70 555.8639526 0.24 556.5112915 1.67 557.2642212 0.10 558.4092407 0.03 559.5278931 0.13 561.2583618 0.06 571.5108032 6.09 572.3330078 0.10 573.4246216 0.13 574.4338989 0.19 575.2853394 0.06 576.2887573 0.13 577.3488770 0.07 579.6958008 0.03 585.1089478 0.05 587.4149780 0.23 589.5079346 22.23 590.9088745 0.25 591.6122437 0.05 595.5401001 0.08 598.8032837 0.10 603.3317261 0.93 607.4411011 10.52 608.0881958 0.03 615.5253296 0.03 621.6174316 0.10 629.5416870 0.37 631.5676880 0.10 637.2305298 0.04 641.4993286 0.15 645.5404663 0.03 647.4458008 1.24 648.5526733 0.07 649.4712524 0.16 651.3869019 0.30 652.5288696 0.05 659.6209106 0.07 660.4924316 0.10 661.2994995 0.17 662.4852905 0.38 663.3889771 0.06 664.0646973 0.04 665.6301270 0.39 667.5316162 0.09 670.4771729 0.42 671.4808960 0.12 675.4545288 0.04 676.8533936 0.05 677.5756226 0.82 680.4407959 0.03 685.6393433 0.71 688.5425415 0.17 695.7500610 0.23 696.4353638 2.60 697.5523071 0.96 700.9609985 0.04 703.4511719 2.87 705.5929565 0.11 706.3945312 0.36 708.4782715 0.15 717.7518921 0.06 721.4472046 2.67 723.2907715 1.35 725.4915771 0.12 729.0962524 0.10 735.5288696 0.09 736.3755493 0.09 738.4469604 100.00 739.3992310 23.90 740.0568237 0.13 745.4570923 0.05 747.5069580 0.52 750.3505249 0.11 751.2741089 0.07 753.4617310 0.04 761.0540161 0.16 765.4992065 20.79 766.4563599 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 455.1765 Annotation Unknow Peak:m/z Relative Intensity 148.9163055 0.62 150.1439819 0.11 151.1256104 0.10 162.0515289 0.06 163.0999451 2.23 190.8723907 0.42 193.0082703 0.04 209.3370056 0.04 221.1953735 0.20 225.8182068 0.14 227.5111237 0.15 230.9969635 0.09 233.1885834 0.10 258.9816589 0.17 267.2763977 0.30 272.1021423 0.07 292.0553589 0.09 292.9342957 0.06 294.1649475 0.15 298.9857788 0.13 306.3634644 0.09 311.0601501 0.10 321.0870361 0.07 325.1288147 2.40 326.1169434 0.05 330.3986816 0.09 336.1793213 0.22 341.7119751 0.94 342.3870850 0.38 351.5172729 0.19 355.4196777 0.22 365.5086365 0.14 368.3746948 0.24 373.2800903 0.04 377.3525085 0.06 379.3887939 0.11 383.2439575 0.05 385.2074280 0.24 395.3967285 0.07 397.2144775 0.46 398.3664856 0.27 399.0108948 0.08 411.2604675 100.00 413.4789124 0.20 419.5247498 0.22 421.2353821 1.91 423.2388000 0.11 425.2636414 0.73 436.5279846 0.09 438.3715515 0.42 439.3976746 1.13 440.2597046 0.06 448.5590820 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 458.77 Annotation Unknow Peak:m/z Relative Intensity 206.8542480 9.76 213.0571899 0.47 253.2962036 0.13 261.1313477 0.10 283.5165100 0.21 284.3442383 0.19 290.7498169 100.00 291.4192200 0.18 306.6077271 0.25 314.8175049 0.24 322.7080078 0.55 359.3839111 0.36 367.0850220 0.20 372.9741211 0.18 374.0528870 3.54 374.7666626 36.08 378.1569519 0.36 379.0375977 0.23 381.6104736 0.13 387.0193787 0.06 390.1399841 0.39 390.8510132 0.33 400.0196228 0.09 412.6476746 0.46 414.1567383 0.22 440.0346985 0.07 440.9212646 0.38 441.5714722 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1395.6019 Annotation Unknow Peak:m/z Relative Intensity 411.8137512 0.16 425.6934509 0.08 437.4670715 0.19 455.1195068 0.06 483.5344238 0.24 501.4471741 2.24 543.6245117 0.37 585.4827881 0.12 629.8153076 0.17 647.8221436 0.10 808.9414673 0.39 809.6203003 1.80 937.6265869 0.58 955.4251709 1.92 956.0447998 0.13 1013.9454350 0.39 1069.6687010 0.10 1087.5472410 100.00 1088.4948730 0.60 1131.8566890 0.13 1132.5904540 0.14 1201.6335450 0.07 1227.7814940 0.17 1246.1313480 0.05 1246.8201900 0.11 1263.8269040 1.44 1264.5717770 6.01 1265.5292970 0.49 1278.0233150 0.11 1293.6171880 0.09 1334.4628910 0.03 1376.5854490 0.88 1377.8266600 0.50 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 782.5414 Annotation Unknow Peak:m/z Relative Intensity 229.0580902 0.08 245.9499054 0.07 270.1199036 0.21 290.2558594 0.04 295.0471191 0.04 327.0968933 0.21 331.9359131 0.06 344.1784363 0.28 360.8861694 0.04 375.4508057 0.06 377.5177612 0.12 378.2293091 0.17 382.1342163 0.11 389.3659058 0.06 392.1021118 0.10 417.0075073 0.58 433.1686401 0.10 440.2838135 0.13 448.3450928 0.23 458.6496582 0.06 465.8523560 0.19 466.4734497 0.31 472.5053101 0.07 473.4866333 0.07 481.5803833 0.15 486.3079834 0.20 492.1546021 0.10 499.3440552 0.08 503.2321167 0.60 512.1190796 0.09 533.3665161 0.05 541.6530151 0.08 542.5618896 0.12 544.2128296 0.32 559.3407593 0.03 570.5311890 0.17 581.9000244 0.06 588.3052368 0.12 595.7873535 0.04 600.6697388 0.43 604.2975464 0.11 607.3450317 0.34 616.5328979 0.08 619.1367798 0.11 622.4461060 0.06 623.3851929 0.07 655.5153198 0.07 667.3343506 0.29 668.4766235 0.08 671.6533813 0.05 679.2787476 0.05 683.0044556 0.57 695.7532349 0.49 698.6536255 0.25 707.7339478 0.08 709.7195435 0.31 710.6786499 0.24 714.3337402 0.25 717.8370972 0.91 719.3198853 1.37 724.5484619 0.66 726.7572021 0.82 728.8839111 0.73 730.6679077 0.53 732.7691040 0.27 733.9599609 0.04 734.8692627 0.94 735.9166870 1.03 737.4332886 0.79 738.8583374 1.59 739.8182373 1.83 740.9266968 3.95 742.1244507 6.60 744.5391235 0.91 745.7755737 0.24 746.6353149 1.88 747.3923950 1.08 748.9470825 0.06 750.3943481 2.28 752.8627930 2.76 754.2474365 1.56 755.1371460 0.40 756.4735107 0.20 757.2526245 7.55 758.1769409 1.26 759.7040405 7.32 760.5090942 1.35 761.4159546 1.01 762.3013306 0.45 763.0869751 0.04 764.0845337 24.08 765.2135620 5.19 766.6641235 2.22 767.4905396 3.19 769.0963745 5.24 770.2103271 0.92 771.6471558 24.59 772.6171265 0.54 774.1692505 2.81 775.2125854 0.55 776.2116089 0.15 777.3320923 0.17 779.3358765 0.26 812.2714844 0.09 815.5134888 0.54 816.5279541 0.18 817.4639282 0.12 818.0983276 0.13 820.3850708 0.15 825.3041382 1.67 827.3278198 0.20 830.7186890 0.51 831.6911011 0.33 836.7667236 1.18 838.9801636 0.33 841.3118286 0.07 842.3269653 0.07 844.0899658 0.32 847.6185303 0.64 848.3645630 0.04 849.4763794 0.04 851.9151001 0.37 853.3466797 0.34 854.6399536 0.78 857.4544067 0.66 858.7770386 0.06 859.4501343 0.14 864.6024170 0.08 866.0874023 0.57 868.5452881 0.67 869.3858643 0.20 870.7218628 0.16 874.5936890 0.26 875.4529419 0.26 877.1489258 0.37 880.7058716 0.46 884.7951050 1.04 886.3820190 0.36 887.7387695 0.11 888.5596313 0.52 890.4277344 0.23 893.1140747 1.27 894.1284180 0.53 894.7694702 0.04 896.8580933 0.36 902.4679565 0.19 904.7767944 1.71 906.5366211 0.36 910.0894165 0.90 911.4787598 0.85 912.6352539 1.59 914.0735474 2.57 915.7057495 0.92 916.8599243 0.25 918.0839233 1.18 918.8552856 0.93 922.3635864 0.11 923.4814453 0.47 924.7250977 1.74 926.8451538 0.65 928.9711914 0.86 929.7456055 0.88 930.5916138 0.47 932.5701294 0.03 936.7018433 1.56 941.3551636 0.17 943.0181274 1.08 943.6901245 0.94 944.5083008 0.26 945.4619751 0.19 946.1875000 1.53 947.0844727 1.51 949.1129761 0.66 950.6878052 0.07 952.9094238 2.78 954.6785278 1.83 956.0740356 2.77 957.0347290 1.54 957.9648438 1.65 959.0688477 5.53 959.8640137 0.89 960.7858887 0.29 962.1713867 4.64 963.4900513 2.21 964.3660278 2.26 965.7167358 1.30 966.8891602 0.37 968.0474243 3.66 969.2565308 1.01 970.1897583 1.98 970.8651733 0.50 972.2114868 0.17 972.8571777 0.87 974.7897339 0.56 975.7726440 0.40 976.7233276 0.88 977.4353027 0.95 978.1666870 1.04 979.2753296 0.84 980.4357910 4.26 981.1218872 2.13 981.9596558 2.43 982.9129028 5.91 983.8128052 1.99 985.2628784 2.16 986.8251953 14.82 987.7018433 22.69 988.6281738 4.19 989.2551880 100.00 990.3146362 2.50 991.9205933 1.61 992.6242065 1.53 993.7429810 0.99 994.3710327 0.71 995.3118286 0.79 996.4080200 2.49 999.8352661 3.47 1000.7040410 2.81 1001.4916990 1.15 1003.4289550 1.52 1005.9696660 3.42 1006.9089970 0.59 1009.3420410 2.53 1010.0883180 1.04 1011.1019900 2.52 1011.7087400 1.12 1012.8679810 1.63 1014.6641240 1.16 1015.4685670 0.23 1016.5614620 0.36 1018.0978390 2.89 1018.7148440 7.84 1020.3602910 0.38 1025.5115970 0.45 1026.2751460 0.12 1027.2352290 0.18 1034.5112300 0.11 1037.7091060 1.36 1038.7746580 0.23 1045.1982420 0.19 1047.5231930 0.57 1050.5509030 0.29 1055.0501710 0.57 1063.4462890 0.09 1066.5888670 0.14 1074.1452640 0.37 1077.5629880 0.23 1083.4616700 0.07 1086.5072020 0.14 1093.9382320 0.12 1101.2741700 0.26 1105.4793700 0.07 1122.9848630 0.28 1124.6289060 0.16 1125.2741700 0.18 1143.5507810 0.31 1144.9245610 0.12 1149.3060300 0.09 1150.4869380 0.06 1155.0363770 0.21 1158.3242190 0.67 1166.0740970 0.05 1168.4821780 0.10 1176.5639650 0.36 1181.5745850 0.10 1189.8924560 0.32 1192.2290040 0.27 1196.5432130 0.24 1202.7729490 0.17 1204.5419920 0.12 1205.7583010 0.05 1217.6649170 0.06 1218.4766850 0.09 1223.1894530 0.28 1230.3244630 0.26 1232.5826420 0.12 1233.5053710 0.60 1241.0229490 0.29 1251.4417720 0.26 1253.5670170 0.46 1254.6690670 0.13 1260.2906490 0.28 1265.0048830 0.14 1268.1525880 0.25 1270.5725100 0.27 1276.7342530 0.10 1282.3790280 0.18 1284.7862550 0.11 1287.5657960 0.19 1288.5804440 0.15 1295.4030760 0.23 1301.9924320 0.26 1302.9776610 0.26 1305.9880370 0.30 1311.6287840 0.46 1323.3054200 0.17 1326.8494870 0.32 1328.3828120 0.22 1328.9852290 0.05 1330.2745360 0.20 1331.6871340 0.34 1342.3082280 0.07 1362.5030520 0.04 1369.6885990 0.14 1370.6995850 0.24 1375.8685300 0.10 1379.6781010 0.26 1393.4301760 0.13 1409.9913330 0.19 1410.6965330 0.14 1418.7049560 0.15 1435.6080320 0.08 1437.9874270 0.34 1472.3017580 0.08 1496.7408450 0.19 1511.1322020 0.05 1519.4163820 0.20 1526.8013920 0.14 1552.5781250 0.09 1566.9583740 0.12 1569.0581050 0.03 1608.0968020 0.05 1616.7795410 0.05 1656.7625730 0.22 1671.5037840 0.08 1734.4708250 0.08 1739.5592040 0.10 1775.6580810 0.06 1777.1810300 0.39 1782.4782710 0.10 1795.6607670 0.28 1813.9234620 0.13 1836.9437260 0.21 1841.1365970 0.38 1852.7681880 0.07 1899.5197750 0.06 1915.5572510 0.14 1931.0817870 0.16 1943.4245610 0.28 1948.1281740 0.30 1958.9556880 0.18 1981.0291750 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 413.1405 Annotation N6-Carbamoyl-L-threonyladenosine Peak:m/z Relative Intensity 124.2076721 0.02 125.1251831 0.17 130.9718018 0.04 133.0451355 0.25 136.1514740 0.19 137.1670685 0.03 142.1360168 0.07 143.0915222 0.21 145.3414307 0.16 146.2513275 0.08 148.1086578 0.07 149.1203003 0.14 151.3428345 0.04 158.9393005 0.06 161.9081421 0.60 163.3548279 0.06 170.1632996 0.13 171.1506653 0.03 173.1418762 0.19 174.0486755 0.03 177.1637878 0.09 178.1689453 0.06 183.1185913 0.08 185.1813812 0.02 187.3244324 0.03 188.2263336 0.02 189.0301361 0.13 192.3099976 0.03 195.1720276 0.14 198.2774506 0.09 199.1474457 0.09 200.2515564 0.07 201.2635345 0.14 203.1925354 0.08 205.2541809 0.02 206.2858734 0.03 207.5753326 0.08 208.3595581 0.07 211.3850708 0.10 213.4659271 0.13 216.0353546 0.10 217.4078522 0.08 219.1339264 0.42 221.2638550 0.10 222.4748535 0.02 227.2689819 0.38 232.2611389 0.05 233.2823486 0.06 236.5308228 0.06 238.6413269 0.18 239.3338013 0.03 241.3858337 0.19 243.4591064 0.19 244.4719849 0.04 246.2343445 0.05 247.2389832 0.05 251.2701721 0.52 253.9570312 0.13 255.2039185 0.74 256.6148682 0.05 259.2792664 0.13 261.2560120 0.13 263.9722900 0.08 266.8334351 0.07 268.1481628 3.68 269.1273499 0.10 271.2904053 0.12 273.1799622 0.48 274.6712341 0.02 275.3006592 0.03 279.1606445 0.06 281.1349792 100.00 284.5662842 0.08 285.1810303 0.02 287.0811768 0.06 288.4499207 0.19 289.3682556 0.02 293.3830872 0.03 294.1237793 1.24 297.1868896 0.54 298.1396790 0.04 301.4199524 0.34 306.9007568 0.15 308.1618958 0.03 309.3663635 0.17 310.1427612 0.03 311.2430420 0.15 313.1748047 0.04 315.2220459 0.02 316.1918640 0.03 322.0242004 0.05 322.7788391 0.02 323.9538879 0.18 325.2912292 0.08 327.3285828 0.09 329.1895142 0.06 330.3115234 0.04 331.1838379 0.08 333.1315918 0.03 334.3702393 0.06 335.0147095 0.08 337.5021362 0.02 339.2934265 0.02 340.2631836 0.15 341.1124878 0.07 343.2984619 0.25 348.2651978 0.10 350.3326111 0.04 351.4588623 0.22 352.5453186 0.03 353.5576172 0.05 355.2735901 0.52 358.6198425 0.10 363.1706238 0.11 366.3291931 0.16 367.2964478 0.15 368.1609192 0.34 369.2162781 0.30 370.1382141 0.06 371.7135315 0.20 373.0099182 0.09 376.1795654 0.06 377.3260193 0.07 380.1190491 0.07 381.7415161 0.11 384.6481018 0.06 385.4270630 0.58 393.0004578 0.23 394.4337769 1.76 395.4980164 4.37 396.5025635 0.04 397.3275452 0.24 403.8183899 0.11 404.9158936 0.05 412.6994934 0.10 423.1652832 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 551.1769 Annotation Lactucaside Peak:m/z Relative Intensity 165.1338501 0.72 175.1280212 0.05 178.0995483 0.76 180.4573517 0.05 181.1392517 0.04 191.0510101 0.03 193.0446777 9.09 195.0724792 2.68 205.2476501 0.02 235.1507263 0.55 235.9259644 0.04 238.3319397 0.04 239.0357361 0.02 259.1705017 0.05 269.3902588 0.05 271.4837646 0.04 277.2549744 0.08 285.3908691 0.03 295.1929321 0.11 309.2968750 0.11 311.0341797 0.09 323.2822876 0.31 326.8299561 0.03 329.2744751 0.10 330.2943726 0.02 335.3063354 0.02 341.2536621 17.91 343.2354736 0.03 345.4251099 0.04 346.1505737 0.04 353.2675781 0.16 355.3258057 0.04 359.1868896 0.10 361.3937988 0.03 370.5717773 0.35 371.3435669 0.48 372.9066772 0.07 374.2683105 0.03 375.1949463 0.11 380.8043213 0.02 382.7285156 0.05 383.3398438 0.05 386.8547974 0.03 389.1638184 100.00 395.7344360 0.09 403.2153320 0.14 415.3358154 0.10 431.1543579 0.74 435.3928223 0.07 441.3158569 0.05 443.0515747 0.22 444.2540283 0.06 447.3182983 0.11 460.2890625 0.21 461.1599121 0.13 463.3740845 0.09 473.7671509 0.14 475.5750732 0.08 487.3178101 0.10 489.8221436 0.24 491.0546265 0.92 493.3477783 0.16 501.1639404 0.07 504.3156128 0.18 505.3601685 0.33 506.4261475 0.14 508.4776611 0.06 513.2869263 0.13 515.5962524 0.09 519.3090820 1.02 520.9796753 0.05 523.3531494 0.22 532.5607300 0.85 533.4072876 0.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 480.31 Annotation PE(18:1(9Z)/0:0) Peak:m/z Relative Intensity 151.1180878 0.23 153.2218018 0.14 161.0785217 0.06 166.1446533 0.21 171.2218781 0.16 198.1282043 0.35 199.1360779 0.04 206.2748718 0.15 213.1838684 0.16 228.2468872 0.12 229.6689453 0.08 232.8293762 0.47 247.093689 0.16 248.744812 0.11 256.2503662 0.51 263.1492615 0.10 265.2388611 0.50 271.8485107 0.29 273.1560059 0.11 279.2955933 0.05 282.474884 0.17 283.5697632 0.62 284.4642639 0.22 288.1162415 0.07 289.0959778 0.16 293.157074 0.13 296.3622437 0.24 304.3578491 0.25 308.0916138 0.08 312.9937134 0.16 320.1720581 0.21 329.5111694 0.09 336.3796692 0.49 337.4199829 0.20 339.2870483 100.00 339.9403076 0.27 340.7413025 0.05 358.0875854 0.17 368.3903198 0.22 370.449707 0.15 380.5004578 0.12 386.6574097 0.11 393.2487793 0.13 399.3408813 0.23 402.6446533 0.11 407.4369507 0.10 420.1954346 0.27 421.2558899 0.12 421.9787903 0.07 423.3676758 0.24 426.2986755 0.18 431.3087769 0.21 435.2497864 0.53 436.6381531 0.13 439.0114441 0.18 444.0744629 0.11 451.7252502 0.38 452.9044495 0.09 461.2891235 1.30 462.3604431 6.84 463.1510315 0.64 464.5091858 0.18 471.1880493 0.11 479.7311401 1.13 480.608429 0.55 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1321.571 Annotation Taxchin A Peak:m/z Relative Intensity 367.1031494 0.54 389.3723450 0.40 405.5339966 0.13 407.2622070 1.09 408.1824951 0.09 419.7700195 0.76 423.3501892 3.79 424.5229797 0.66 435.4231262 4.75 436.3915405 2.43 437.4724731 0.68 438.6532593 0.21 448.4665833 0.89 453.2819214 2.26 454.6339417 0.29 455.4777222 0.12 464.6199341 0.12 481.3931274 11.80 482.5379639 5.45 499.3817139 53.80 500.3887634 14.00 687.5577393 0.62 769.6934814 0.33 807.4859009 0.10 808.3228760 0.87 817.3880615 0.11 826.5566406 0.62 833.5509644 0.55 867.6439209 0.68 868.5114746 0.16 869.8331299 0.12 984.5836182 0.96 1013.5130620 100.00 1014.5729980 53.41 1124.1232910 0.20 1144.0185550 0.10 1145.1927490 0.22 1153.9594730 0.14 1161.6749270 0.37 1189.6066890 1.66 1190.8018800 0.48 1191.4208980 2.13 1192.3666990 0.30 1245.5747070 0.23 1246.3359380 0.35 1259.4907230 0.59 1260.8422850 1.08 1277.7017820 0.16 1290.3221440 0.51 1304.5690920 0.74 1305.2324220 1.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 583.4127 Annotation Pectenol B Peak:m/z Relative Intensity 162.9929504 0.03 165.0516968 0.67 166.8430481 0.27 168.0299377 0.09 169.1441498 0.32 170.0396271 0.14 170.9587860 0.40 172.0536194 0.03 172.8565063 0.28 173.4594116 0.28 175.1468201 1.32 177.1178131 0.33 179.0773010 0.53 180.3898010 0.13 181.1181946 0.49 181.8990784 0.11 183.1521301 0.98 185.0256500 0.52 187.2087555 1.20 189.2283173 0.60 191.0578918 0.96 192.2152100 0.05 193.0631714 0.98 195.1213837 0.84 196.4734039 0.23 197.1576233 1.70 199.1061249 0.54 201.1822510 0.87 203.1137848 1.36 204.1605835 0.22 205.0984039 0.26 205.8018494 0.40 207.1257629 1.47 209.0568390 2.97 211.2616272 0.42 213.2362823 0.48 215.0175018 0.20 216.3661499 0.23 217.3292389 1.01 218.5659790 0.21 219.2011719 0.80 221.1667786 13.20 223.0862122 1.28 224.1381531 0.03 225.2231750 0.40 227.2553864 0.33 229.3243561 0.56 231.1658325 0.62 232.0720673 0.22 233.2585754 0.55 234.6644592 0.24 235.2990875 1.29 237.2351837 0.57 239.1229248 0.15 241.2766418 0.36 243.1148987 0.16 244.7252045 0.23 245.6889954 0.31 246.3942719 0.15 247.2641449 1.02 248.6422119 0.23 249.2801819 1.10 250.5165100 0.40 251.3436737 0.30 253.4027100 0.05 255.2050171 0.07 256.4377441 0.06 257.3171692 0.31 259.3613892 0.89 260.1608276 0.38 261.2229919 1.16 263.1264954 1.37 264.0465698 0.05 265.2771301 0.85 267.2311401 0.36 269.2172852 0.17 270.3457642 0.17 271.2584839 0.39 272.2807617 0.31 273.2022705 1.41 274.1127319 0.39 275.2619019 2.24 276.3676453 0.24 277.3528442 0.73 279.2222290 0.62 280.1844482 0.05 281.3083496 0.49 282.0799561 0.15 283.1441040 1.00 285.1125488 1.09 286.4911804 0.47 287.2164917 1.15 289.2467651 0.85 291.2740479 0.92 292.3047485 0.02 293.2986450 0.64 294.2293091 0.03 295.1726990 0.10 297.2088013 0.28 298.0673523 0.03 299.1604309 0.64 301.2663879 1.57 302.6730347 0.16 303.4354858 0.55 305.2493286 1.04 307.2974854 0.07 309.3558960 0.46 310.1136475 0.29 311.2765808 0.94 312.1990967 0.04 313.1264038 0.23 314.3879395 0.13 315.4470215 1.24 316.2340698 0.05 317.5280151 0.13 319.4105835 0.34 321.2797241 0.69 322.0299072 0.07 323.3403320 0.51 324.3065186 0.10 325.2036133 0.48 326.0339355 0.09 327.3527832 0.41 328.3934937 0.16 329.2880859 1.22 330.2716064 0.11 331.4386597 1.27 332.6317139 0.27 333.4396362 0.31 335.4406128 0.54 336.2237549 0.05 337.2046509 0.38 338.2702637 0.22 339.3627930 0.29 341.3401489 1.02 342.4035645 0.14 343.2800293 0.70 345.3859253 0.43 347.2902222 0.61 349.3703613 0.88 350.2135620 0.16 351.3782349 1.03 352.4920654 0.20 353.4520874 0.42 355.3853760 1.29 356.2869263 0.05 357.4493408 1.79 358.3231812 0.09 359.1656494 1.57 361.3198242 0.35 362.0664673 0.27 363.0317383 0.14 363.7362061 0.18 364.3767090 1.89 365.3851929 0.78 367.3939819 0.48 369.4586792 0.58 370.1169434 0.02 371.2847290 0.78 373.3501587 0.67 375.3298950 2.70 376.0227661 0.16 377.2457886 4.02 378.2718506 0.23 379.5620117 0.36 381.5446777 0.33 383.2036743 0.30 385.3565674 4.26 385.9722900 0.05 387.3240967 1.26 388.6468506 0.02 389.3693848 1.20 390.3784180 1.00 391.4242554 0.81 392.3667603 0.13 393.3782349 0.71 394.1206665 0.06 395.5629272 0.28 397.2941284 0.32 399.4575195 5.22 401.3724365 0.53 403.4468384 1.10 405.5056152 0.05 407.2272339 0.51 407.8893433 0.12 409.5540771 0.52 411.5416870 0.69 412.4108276 0.11 413.4493408 0.34 415.5354614 0.50 417.4285278 1.12 419.3665771 0.18 421.3529053 0.49 422.6292725 0.11 423.9368896 0.30 425.4448853 8.53 427.5552979 0.46 429.5825195 0.63 430.3978882 1.76 431.0442505 0.07 431.7399292 0.13 435.5264893 0.07 437.1922607 0.02 438.4109497 2.25 439.3045044 0.45 441.6449585 0.36 443.5096436 1.34 445.6065674 0.03 446.7109375 0.17 449.1919556 0.16 451.2845459 0.41 453.4396362 0.48 455.2127686 0.08 457.4913940 0.21 459.2952881 0.21 463.5330200 0.61 464.3298950 0.22 465.4263306 0.12 467.5307617 0.73 469.5734863 0.15 471.3101196 0.15 473.5139771 0.69 477.4843140 4.87 478.5364380 0.04 481.5332031 0.28 483.4924927 0.45 487.6353760 0.17 489.5342407 0.07 491.4231567 100.00 492.0927734 0.33 497.4823608 0.03 499.4146118 0.14 502.3732300 0.08 503.6221924 0.24 504.5143433 1.02 507.3434448 0.16 509.4976807 2.27 515.5392456 0.08 523.5099487 0.03 525.5172119 0.13 527.4595947 1.68 529.5296021 0.43 532.3898315 0.20 534.0875854 0.05 539.6937256 0.04 547.4202881 2.89 551.7135620 0.26 555.5678101 0.07 565.5188599 13.78 566.5529785 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 553.3021 Annotation PF1070B Peak:m/z Relative Intensity 187.2038574 0.03 247.1163940 0.05 265.2250366 0.04 266.2677612 0.06 311.2530518 0.04 328.4910889 0.06 343.3681641 0.38 345.5013428 0.04 349.1291504 0.02 361.3772583 1.11 365.5958862 0.04 371.1303101 0.18 376.5347900 0.16 377.1750488 0.02 389.2809448 0.22 393.4266968 0.71 395.1853027 0.03 405.7442017 0.17 407.2371216 0.55 413.2658691 0.32 431.4209595 1.30 432.3135986 0.09 449.3223267 54.09 450.0164185 0.14 463.4461670 0.03 477.0567627 0.04 489.3247681 19.44 489.9596558 0.03 493.5574341 0.03 495.4065552 0.13 496.5629272 0.06 499.5313721 0.07 505.4992676 0.13 507.2578735 100.00 508.1907349 0.18 509.3110962 0.39 516.0460205 0.17 517.2957764 0.07 519.9055786 0.05 525.4584351 2.91 534.2341919 0.18 535.1504517 0.49 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 716.4324 Annotation Unknow Peak:m/z Relative Intensity 229.1379700 0.19 235.0196533 0.25 237.8572693 0.07 239.0588379 0.76 241.5191040 0.08 243.3923645 0.33 256.1252441 0.47 263.1211548 0.80 264.1100464 0.12 265.1956177 0.37 267.3458862 0.30 282.7399902 0.77 283.4780273 0.13 285.4628906 0.25 287.0070801 0.13 287.7857056 0.10 292.8156128 0.52 300.3097839 1.06 303.3524170 0.20 306.9753723 0.26 309.1098633 1.13 310.2161255 0.28 327.1625366 0.84 328.2385254 0.34 329.3904724 0.27 331.0641479 0.41 333.2981873 0.40 336.9591675 0.04 338.0592651 0.15 339.0401001 0.20 340.2266235 0.11 344.3269653 0.63 349.2769165 0.09 353.1552734 0.90 356.4763794 0.23 366.8739014 0.29 371.2235107 1.27 372.9663696 0.13 375.4782104 0.22 376.6379395 0.10 377.3328857 0.14 381.0561523 0.13 382.0775146 0.15 388.2240601 1.61 389.5565186 0.16 390.5848999 0.56 397.1353760 0.98 402.3748779 0.84 408.2692261 0.26 412.0379028 0.40 415.2853394 0.89 419.2322388 0.15 424.1676025 0.15 425.9631348 1.56 428.4217529 0.25 432.5193481 0.30 434.7622681 0.11 441.3115845 0.12 445.4214478 0.44 448.4046631 0.48 453.3782349 0.11 455.3419189 0.07 456.9618530 0.65 459.2809448 1.00 463.3926392 0.19 465.3173828 0.93 467.2669678 0.09 470.4760742 1.26 473.2932739 0.17 476.3079834 0.92 477.5190430 0.07 478.5145264 0.50 484.1979980 0.25 491.8842163 0.27 498.4483643 0.82 499.4138794 0.12 500.9889526 1.44 503.0524902 0.25 503.6973267 0.37 507.1120605 1.05 517.2561646 0.16 518.1598511 0.35 520.3258667 1.56 522.7140503 0.14 527.2164917 0.21 535.8034058 1.08 536.4407349 0.51 538.0232544 0.28 539.0643311 0.50 540.3032837 0.86 540.9430542 0.13 544.2563477 1.37 544.9446411 0.93 551.3191528 0.19 554.3693237 1.79 556.7409668 0.29 558.1008301 0.15 559.0346069 0.26 564.2038574 0.97 566.8922119 1.17 569.5004883 0.11 574.3981323 0.77 579.9815063 2.34 588.7854004 1.61 589.4133911 0.34 592.1569824 0.38 593.6578979 0.16 595.5124512 0.78 598.0267334 1.17 598.6475220 0.11 599.4032593 0.09 602.1452637 0.83 606.1325684 0.17 607.2968750 0.41 608.1926880 0.23 610.9290161 2.30 615.0485229 0.28 617.3215332 0.13 621.2047119 0.34 622.0025024 0.30 623.3628540 0.08 624.4158936 2.12 625.6293945 0.12 626.2986450 0.46 627.1286011 0.50 628.5150757 0.20 631.0628052 0.06 631.6738892 0.17 632.9099731 3.71 634.8698730 0.85 635.6989746 0.24 639.4288940 0.95 640.4792480 0.37 641.5902100 0.61 644.6832886 0.14 646.2266846 0.97 650.4573364 1.04 652.4398193 1.33 654.7005005 4.75 655.4099121 4.57 656.3923950 0.81 657.1931152 0.16 662.1430054 0.88 663.9736938 5.20 668.5428467 1.46 670.0034790 0.11 673.4592285 0.07 675.2228394 0.77 676.6611938 0.68 677.3038940 2.25 679.3475952 0.79 680.2211914 1.14 681.0822144 0.51 682.4896851 0.12 683.6889648 0.29 684.3558960 0.33 685.9639893 4.65 686.7886353 0.21 690.2678833 3.37 691.9766235 0.37 694.6349487 0.05 697.1046143 0.46 698.6887817 18.37 699.3405151 100.00 700.3736572 0.21 701.3207397 0.31 702.2407837 0.55 705.8550415 0.28 707.4169312 0.78 753.1378784 0.32 763.4539795 0.47 764.4950562 0.13 771.5922241 1.46 776.2678833 0.49 776.8961182 0.15 778.3590698 0.50 779.4254761 0.53 798.5728149 0.35 807.8574829 0.77 833.3458862 0.13 850.9599609 0.23 851.7182007 0.32 859.2244873 0.43 859.8482056 0.13 868.4628296 0.52 869.6525879 0.37 895.3742676 0.52 899.9311523 0.90 912.2673950 0.80 914.5045776 0.17 920.5422363 0.83 939.3436890 0.07 957.0261841 0.17 960.3782349 0.22 973.8563843 0.34 974.7289429 0.07 993.8950195 0.42 1000.1757810 0.19 1001.1333010 0.59 1003.4485470 0.36 1006.6652220 0.52 1018.6683960 0.09 1027.2326660 0.11 1036.0040280 1.01 1045.2209470 0.61 1062.5069580 1.03 1071.0549320 0.20 1073.6290280 0.22 1106.7014160 0.32 1107.7281490 0.17 1115.4437260 0.08 1122.8125000 0.10 1132.9976810 2.57 1133.7470700 0.82 1134.5557860 0.16 1150.4869380 3.03 1159.4217530 1.10 1176.5972900 0.40 1177.2423100 0.91 1177.9324950 0.20 1194.4240720 2.13 1221.4420170 1.66 1238.6638180 1.48 1273.0306400 0.05 1282.3458250 0.42 1392.0732420 0.33 1393.2756350 0.15 1395.0601810 0.37 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 967.3797 Annotation Unknow Peak:m/z Relative Intensity 362.6726685 0.30 423.3256226 0.06 455.4012451 0.20 467.3516235 1.11 468.8178101 0.75 469.4815063 0.50 470.4193726 0.15 499.3867188 0.09 541.2531128 0.07 565.4700928 0.03 579.3104858 0.68 581.4740601 0.06 583.6119385 0.86 584.5056152 0.12 601.6198120 0.08 602.6223145 0.19 623.3269653 0.54 624.5791626 0.32 625.3721313 0.10 627.6764526 0.09 629.4754639 0.20 632.2153320 0.14 633.1790161 0.06 637.3886108 0.06 641.4985962 7.44 642.5090942 2.22 645.5491333 1.16 646.7345581 0.72 655.4057007 0.06 665.5685425 0.08 685.5086670 0.49 687.3417969 0.16 699.7249146 0.08 703.4679565 0.12 706.5706177 0.08 733.4221802 0.09 743.4204712 0.05 755.8430786 0.09 761.4199829 2.62 762.4229736 1.34 771.6018066 0.18 787.4060059 0.13 789.5153809 0.72 790.4288940 0.19 791.4441528 0.18 803.4234009 16.55 804.6112061 5.14 805.6999512 0.11 807.4691162 65.36 808.5001831 17.96 809.1846313 0.22 810.5698242 0.14 819.4359741 1.02 835.7066040 0.12 837.7760620 0.09 839.8463135 0.28 840.6517944 0.35 847.4442749 10.26 848.5919800 2.31 863.4406128 1.13 865.3624878 35.84 866.4070435 10.31 867.1863403 0.16 871.1802368 0.39 877.1373901 0.20 879.5251465 0.31 887.3055420 0.07 895.9925537 0.40 896.6878052 0.06 905.4959106 0.45 906.3812256 0.38 907.2210693 0.45 908.3483276 2.47 909.4615479 0.85 923.3964844 100.00 924.4405518 34.68 932.7284546 0.14 939.2827759 0.03 949.4099731 0.62 950.3349609 0.67 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 729.88 Annotation Unknow Peak:m/z Relative Intensity 272.9736938 10.62 274.0217285 1.57 275.0857544 0.04 308.0562744 0.12 386.8846436 14.15 388.0219116 4.10 499.0964966 0.08 500.9005127 70.08 501.8533325 31.83 502.5045166 0.11 572.1853027 0.32 573.2264404 0.33 574.1444092 0.10 576.2081299 0.14 608.8728027 0.11 609.8290405 0.91 612.9133911 0.10 614.8314209 100.00 615.8791504 59.12 616.7208252 0.20 627.0047607 0.27 627.9332275 0.13 629.1242065 0.25 638.9577026 0.11 646.3229370 0.05 653.0500488 0.10 654.9397583 4.32 655.9008179 2.32 656.9585571 1.82 672.0446777 0.14 672.8154907 1.28 674.0119019 1.46 675.2492065 0.36 683.0299072 1.56 683.8480835 0.34 684.7135620 0.68 685.9279175 0.05 698.0093384 0.16 700.8607178 0.47 701.7484741 0.21 711.1610718 0.11 841.8163452 0.06 842.7543945 0.77 843.8310547 0.95 954.2721558 0.16 956.7946167 1.16 957.8649902 2.19 1070.7319340 1.00 1071.6743160 1.30 1072.7519530 0.13 1166.8975830 0.06 1184.5073240 2.27 1185.1110840 0.91 1185.7709960 2.73 1186.9694820 0.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 971.45 Annotation Betavulgaroside VI Peak:m/z Relative Intensity 324.9765015 20.61 439.6596680 10.90 471.4883423 17.67 481.3362427 0.85 483.6227417 1.47 499.3275757 13.96 501.5040894 15.85 571.4337769 1.06 645.3601685 5.16 663.4464722 100.00 664.2769165 0.43 806.5300293 5.80 808.2235107 4.50 809.5800171 11.72 811.3887329 3.29 840.4774170 15.15 868.4293213 4.12 926.7539673 9.13 927.4589233 0.67 953.4953003 1.12 956.6320801 0.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 386.8 Annotation Unknow Peak:m/z Relative Intensity 159.1285400 0.04 219.0322571 0.43 250.0492859 0.05 273.0252075 0.07 274.0201416 0.06 288.8715820 0.07 300.6788940 0.10 302.8923340 100.00 310.9491577 0.09 319.1622314 0.05 332.7966919 0.05 368.3847351 0.09 372.0480652 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1276.07 Annotation Unknow Peak:m/z Relative Intensity 483.6105957 10.77 501.3872070 43.45 543.5593872 22.04 629.6458130 6.41 647.3414917 2.33 773.5433960 2.45 775.3703613 10.62 809.6524658 12.21 817.5999756 18.08 905.9062500 6.50 907.4287109 81.94 925.5384521 41.44 926.3184814 9.99 967.5509033 100.00 968.5242920 8.82 1107.6896970 2.59 1111.8503420 2.33 1115.4692380 16.03 1143.5611570 25.54 1144.4957280 28.46 1145.5799560 15.40 1155.3063960 12.13 1231.5172120 20.61 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 403.0914 Annotation Zopiclone N-oxide Peak:m/z Relative Intensity 121.2156372 0.04 122.0819092 0.07 124.9158096 0.10 136.9819489 0.86 143.0538788 0.38 151.0674438 0.03 152.9212036 0.07 161.1520233 0.84 162.0135498 0.07 162.9031982 0.12 164.1603851 0.02 172.0185242 0.02 175.0262756 0.06 179.0235901 0.91 183.1943665 0.08 193.2106476 0.06 195.0570374 0.08 199.1146240 0.26 205.1403809 0.26 207.0754395 0.02 209.2405090 0.03 210.8638763 0.06 223.1698914 0.08 227.9314117 0.05 228.9479370 0.04 239.1109619 0.73 241.0800476 30.15 241.8703308 0.06 249.0083923 0.07 253.1042480 0.07 254.2634277 0.10 257.0787048 0.09 259.1301880 8.72 259.8045044 0.09 262.0362244 0.07 263.0811768 0.10 271.2794800 0.04 283.3364868 0.11 284.3175964 0.03 286.0740967 0.05 290.0593567 0.04 305.2544250 1.77 306.3429565 0.12 307.1269531 0.24 315.2060547 0.09 321.2892151 0.03 323.2119141 100.00 324.2803345 0.65 327.2621765 0.11 329.1716919 0.14 341.1719971 11.33 343.1794434 2.38 344.2817993 9.91 345.2743225 0.78 350.1489258 0.08 356.0324402 0.30 357.2584534 2.69 358.3173828 0.24 359.1710510 0.49 360.3955688 0.07 367.1661072 0.59 370.8064270 0.04 373.2374573 0.28 375.0654602 0.15 384.2754822 1.08 385.2499695 46.23 386.2302856 0.41 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 457.0965 Annotation Bikoeniquinone A Peak:m/z Relative Intensity 129.0344238 0.26 141.0681305 0.26 159.0169983 0.97 176.8060760 0.05 189.6185760 0.06 191.3574219 0.10 206.1153412 0.03 209.0534363 100.00 211.3843994 0.06 230.2727356 0.17 235.0197449 0.09 285.1190491 0.03 304.0728455 0.31 321.1059875 0.09 330.2519836 0.03 338.2621460 0.23 341.1572266 0.15 358.3021240 0.11 359.0634155 0.14 370.1843872 0.02 371.7334595 0.05 379.3125000 0.07 384.3012390 0.07 395.3406982 0.04 397.3792725 0.05 398.6330261 0.04 407.3066101 0.19 439.0727844 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 955.418 Annotation Unknow Peak:m/z Relative Intensity 307.1106873 0.13 365.3588867 0.07 381.3910522 0.09 393.2064819 0.17 409.4996948 0.82 421.3590698 0.06 425.3733521 0.36 437.5881348 0.13 439.4235840 0.69 453.3500977 0.17 455.5954590 0.38 465.5983276 0.06 483.5068970 2.59 499.1776733 0.19 500.1412964 0.13 501.5029297 4.96 543.3667603 0.18 569.1604004 0.52 569.9118042 0.20 583.2597656 0.12 587.6525269 0.31 599.4233398 0.11 617.7449951 0.38 629.8276367 0.11 643.4614868 0.04 661.4036255 1.47 731.5767212 0.17 749.8736572 0.03 757.7097168 0.10 777.6805420 0.26 793.4432373 0.54 794.5003052 0.09 795.6083374 0.10 805.4712524 0.12 823.4785767 100.00 824.1074829 0.64 833.6301880 0.34 835.4323120 0.51 851.2808228 0.17 853.8517456 0.09 879.4728394 1.16 893.6730957 0.17 910.4534912 0.19 911.7344971 0.10 937.6994019 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 693.2769 Annotation Unknow Peak:m/z Relative Intensity 201.1352081 0.02 203.3047028 0.01 228.0460663 0.01 229.3237152 0.05 231.1679688 0.01 242.3319092 0.02 245.1168671 0.07 257.2984619 0.02 258.4682007 0.02 265.2682495 0.02 267.3512878 0.01 273.1022034 0.05 274.3431091 0.14 290.9929504 0.02 309.1123047 0.06 313.0378418 0.02 317.0562134 0.11 318.2713013 0.01 319.3060303 0.01 327.7093506 0.02 335.2236328 0.58 336.2625732 0.51 337.1941223 0.06 341.2536011 0.03 353.1101685 0.01 355.3151855 0.07 356.3786621 0.01 403.2772217 0.08 427.1420898 0.04 442.4042358 0.02 443.2446899 0.06 459.7751465 0.01 460.3834229 0.64 462.2984009 0.02 476.3878784 0.03 478.6975098 0.08 480.0671387 0.01 487.2617798 0.01 493.5437622 0.03 504.2428589 10.71 504.9330444 0.02 506.5280151 0.03 508.3381348 0.12 512.7130737 0.02 516.4870605 0.00 518.2658691 0.03 526.8018799 0.01 531.2348022 0.03 536.2581177 100.00 536.9315796 0.18 539.2570190 0.01 556.3865967 0.01 560.6658936 0.02 569.2528687 0.03 571.3056030 0.05 572.4428101 0.03 573.4630737 0.01 583.4080811 0.06 586.3673706 0.04 588.4121094 0.07 597.3126831 0.01 598.5298462 0.01 599.3856812 0.05 600.3840942 0.08 601.3095093 0.10 603.4789429 0.01 607.1948853 0.02 612.3098755 0.02 613.2717285 0.03 615.2988892 0.14 617.3767700 0.08 619.3464966 0.02 620.2042236 0.02 627.6273193 0.03 629.0106812 0.01 629.8583984 0.08 631.1482544 0.02 632.3127441 0.56 633.3243408 1.02 639.3771362 0.02 641.3126831 0.04 642.2171021 0.30 643.3512573 0.69 646.1614990 0.05 647.4700317 0.01 648.1506348 0.03 649.5067139 0.14 656.3168335 0.02 657.2260132 0.06 660.4227905 0.85 661.3972168 2.50 674.4684448 0.93 675.3252563 3.50 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 983.3765 Annotation Unknow Peak:m/z Relative Intensity 291.3008728 0.06 309.0309448 1.27 335.2601318 0.49 423.4331665 3.60 424.3905640 0.20 485.4755249 0.03 513.7654419 0.04 563.5783081 0.10 584.7225342 0.22 585.4128418 0.12 586.2611084 0.46 599.4674072 0.12 600.4241943 0.10 629.4414062 0.25 643.3652344 0.74 647.5529785 4.06 648.2403564 0.22 648.8490601 0.18 657.1184082 0.14 661.9664307 0.23 675.2201538 1.03 699.7377319 0.04 701.2743530 0.24 754.7576904 0.07 759.7071533 0.03 761.2880249 0.62 777.4941406 0.75 790.2778320 0.08 801.3789062 0.17 803.6263428 0.13 804.3336182 0.07 805.4197998 0.39 807.5750732 0.16 808.6195068 0.16 819.3862305 4.93 820.6398926 0.09 821.3162842 0.52 823.4515381 42.50 824.5014648 4.87 835.4277344 0.15 863.4544678 11.08 864.4783936 1.35 865.4648438 0.13 877.2854004 0.16 879.4691162 1.27 881.4406738 55.09 882.4649658 5.32 889.6901855 0.13 907.4781494 0.42 911.3395996 0.17 912.3649902 0.12 921.4114990 1.88 922.4901123 0.52 923.7542725 3.34 924.4165039 8.47 925.4683838 1.76 939.3592529 100.00 940.4664307 12.04 947.7312012 0.30 952.1220703 0.03 952.8337402 0.11 965.2907715 5.83 966.4919434 0.75 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 429.1609 Annotation 2,3-Butanediol apiosylglucoside Peak:m/z Relative Intensity 155.2753601 0.09 193.1662903 0.11 219.8818054 0.12 231.1196289 0.06 241.0700378 0.11 258.0653381 0.18 261.3976746 0.19 262.0296631 0.09 264.1266785 1.34 267.2300415 0.07 306.2750549 0.20 308.4232788 0.15 325.6281433 0.27 341.2719421 0.08 344.1591187 0.02 352.9578247 0.14 367.4805298 0.06 369.1623840 0.23 383.2067261 100.00 385.1510315 2.68 397.5060120 0.13 398.3506165 0.12 400.8004150 0.84 410.3734436 0.02 411.3126831 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 478.1562 Annotation Nikkomycin Lz Peak:m/z Relative Intensity 170.0517273 0.07 225.2029419 0.06 240.9240875 0.19 251.2426147 0.25 254.1466370 0.04 256.9600220 0.26 267.3095703 0.25 268.2882690 0.09 269.6984253 0.04 272.1051636 0.17 279.5563354 0.09 286.0257874 0.18 287.1076355 0.07 295.3631592 0.20 297.4011841 4.64 298.4807129 0.25 303.1215820 0.08 303.9380493 0.19 306.1892700 0.36 312.2893372 0.09 315.0905151 0.11 332.1529236 0.05 342.2541809 0.23 347.9497986 0.04 349.5820923 0.06 357.5906372 0.16 361.3477173 0.03 364.1480713 0.10 386.3842773 0.22 387.4282227 0.05 391.5004272 0.07 395.2859802 0.28 399.3963623 0.15 400.5547180 0.16 405.3885193 0.29 416.4612732 0.33 417.3540039 0.43 418.6364136 0.05 426.3837585 0.26 429.9067078 0.19 432.2160950 100.00 432.9547729 0.26 434.2571716 0.39 435.5788879 0.15 436.1791077 0.07 441.4275818 0.06 447.3979492 0.13 448.0532532 0.15 451.2710876 0.50 459.6597595 0.62 460.5128174 0.15 463.4492798 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1335.5883 Annotation Unknow Peak:m/z Relative Intensity 437.2934570 0.12 455.5610657 0.24 501.3226929 0.66 543.4631348 0.13 647.8580322 0.04 749.7363281 0.04 791.5663452 0.21 793.9269409 0.20 815.3446045 0.03 817.5975342 0.29 831.1376953 0.14 833.2030029 0.18 835.6307373 0.08 839.6612549 0.07 851.6055908 0.08 893.2222900 0.27 937.6497803 0.45 955.0206299 0.25 955.7290039 2.28 997.5048828 100.00 998.3089600 0.68 999.0529785 0.08 1021.4754640 0.10 1037.9523930 0.27 1075.7696530 0.08 1093.8348390 0.16 1112.4992680 0.10 1137.6230470 0.08 1154.1280520 0.27 1155.6009520 0.12 1159.6650390 0.14 1170.8562010 0.07 1173.1578370 0.22 1174.4733890 1.45 1175.6218260 0.10 1213.5419920 0.04 1214.8386230 1.06 1215.6031490 0.08 1231.7266850 0.17 1232.5070800 0.39 1233.6359860 0.21 1258.4803470 0.11 1273.5075680 0.34 1275.6994630 0.11 1290.6015620 0.74 1291.7768550 0.52 1317.1132810 0.23 1317.8264160 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 380.76 Annotation Unknow Peak:m/z Relative Intensity 116.0582733 0.03 129.9681702 0.05 186.8321533 0.06 196.9717255 0.02 212.8671875 2.50 254.3376770 0.02 254.9760437 0.02 275.5141602 0.02 279.0783691 0.06 290.0468750 0.21 291.0741577 0.06 295.1041260 0.11 296.7537537 100.00 308.0831909 0.06 318.3541260 0.01 332.6697998 0.03 334.0894470 0.18 334.7662048 0.12 335.9406433 0.02 338.8522339 0.02 353.2236633 0.09 362.1044617 12.38 363.2365417 0.93 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 845.1452 Annotation Unknow Peak:m/z Relative Intensity 234.9924622 0.14 241.2801208 0.39 243.3901062 0.19 257.4161682 0.42 258.1509705 0.30 259.0443115 1.57 265.3116760 0.05 267.1765442 0.14 269.0206909 0.05 270.1885986 0.32 271.4399109 0.05 277.1659546 0.08 283.0620422 0.19 284.0938110 0.12 285.1794434 0.09 286.1254578 1.49 287.0480652 5.03 295.0782166 0.25 299.2477417 0.03 301.0737000 1.42 302.1196899 2.08 315.0861816 0.44 316.0132141 0.22 317.1618347 0.17 329.4716492 0.89 330.1299133 7.72 331.1116333 0.36 337.0490112 0.50 343.1006165 0.26 345.1255493 65.97 357.4088440 0.13 359.0415649 1.27 359.6511230 0.28 369.4559937 0.05 372.0089722 0.06 383.2273865 1.10 387.0472412 0.04 395.4218750 0.09 397.3291626 1.72 407.2413940 0.15 416.8291626 0.23 420.8980713 0.11 425.2491455 0.65 427.2968140 0.23 439.1389160 0.65 463.4805908 0.10 467.1971436 0.05 481.3862305 0.22 485.2220459 8.24 499.2949829 34.11 507.1579590 0.28 519.4662476 0.09 637.2732544 0.46 649.2856445 0.16 651.2849731 12.21 651.8963013 0.38 669.2396240 100.00 669.8609009 0.72 683.4036255 3.95 695.4396362 0.06 721.4779053 0.04 746.2409668 0.06 756.4638672 0.06 757.6254883 0.13 798.6168213 0.20 801.8591919 0.29 815.3547363 0.11 817.0312500 0.04 827.4668579 0.07 830.1836548 0.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 605.2412 Annotation Phaeophorbide b Peak:m/z Relative Intensity 173.1549988 0.02 205.3349915 0.01 226.2641907 0.02 243.2031860 0.02 255.3359222 0.02 273.3845215 0.01 275.4715271 0.01 296.5743713 0.06 297.3509521 0.02 299.1584473 0.01 341.0104980 0.01 347.3248901 0.02 379.6765747 0.03 386.4970703 0.05 431.5254517 0.02 456.4194946 0.03 460.9481812 0.01 465.3893433 0.08 476.2862549 0.04 481.7295532 0.02 485.4403076 0.05 491.6107788 0.06 498.3508301 0.01 505.5281982 0.01 508.2968140 0.01 513.5393066 0.01 514.8694458 0.05 516.6673584 0.02 517.4731445 0.02 519.6270142 0.05 525.3726807 0.03 526.5258179 0.03 527.3592529 0.06 529.3263550 100.00 529.9998169 0.28 533.2070312 1.04 533.8375244 0.00 542.0089722 0.03 546.1861572 0.07 548.2896729 0.01 549.7202759 0.06 551.2546387 0.10 559.2297363 0.10 560.3324585 0.14 561.4053955 1.98 566.4347534 0.04 567.3511353 0.05 568.3448486 0.02 569.1732788 0.20 569.8534546 0.01 573.1468506 28.20 573.8623047 0.08 586.5947876 0.10 587.3162842 0.15 588.4942627 0.02 589.4852295 0.05 605.7994995 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 547.2396 Annotation Unknow Peak:m/z Relative Intensity 149.0878906 0.14 161.0379639 2.70 191.0851746 3.74 206.8245850 0.46 220.3554840 1.46 220.9706116 9.28 248.9110260 0.13 250.7986603 3.73 263.1151733 0.36 267.2814636 0.13 274.9692993 1.14 281.2343140 0.97 293.1496582 14.16 296.9501648 0.06 310.9860840 100.00 311.5884399 0.22 327.0827637 0.10 367.6596680 0.05 371.3878174 0.32 384.4050903 0.08 385.2075806 0.30 391.2862549 0.07 408.3040161 0.17 428.8773804 0.07 431.0959473 0.13 450.3914795 0.34 465.6813965 0.30 490.3862305 0.07 498.4501343 0.45 499.4191284 0.20 500.7637939 4.12 501.4404297 0.73 509.5103149 0.37 511.0545044 0.15 529.3127441 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 674.2611 Annotation Unknow Peak:m/z Relative Intensity 232.7536621 0.03 233.3618774 0.05 234.0970459 0.02 263.3093262 0.03 313.3211060 0.02 353.1135864 0.76 354.2081909 0.03 369.1096802 0.02 418.6583252 0.08 491.2413940 0.02 501.4144897 0.01 503.5496826 0.02 519.6404419 0.10 546.7391357 0.03 550.5026855 0.02 552.2493286 0.01 554.5666504 0.09 571.2714233 0.23 576.7885132 0.04 578.0114746 0.07 579.3519287 0.19 585.6184082 0.06 590.1266479 0.02 591.8135986 0.07 594.2113037 0.03 599.3328247 0.14 600.3000488 0.18 600.9240112 0.13 608.2033691 0.07 621.2460327 1.96 622.1362915 0.08 629.5104370 1.52 630.5034790 1.68 631.6173706 0.10 637.9832153 0.01 642.1426392 0.12 643.3330688 0.16 651.4747925 100.00 652.3404541 1.26 653.0380859 0.41 653.8681030 0.15 654.6262817 0.10 655.3566284 0.06 656.5837402 0.09 657.2715454 0.08 659.2322388 0.04 661.0449829 0.03 668.3610229 0.08 778.4777222 0.04 793.5812378 0.13 794.6224976 0.05 837.1851196 0.08 845.1952515 0.02 905.3120117 0.79 906.2068481 0.27 968.7832642 0.03 1007.1401980 0.07 1025.6942140 0.01 1068.2731930 0.01 1079.2779540 0.10 1081.0924070 0.01 1082.2691650 0.03 1083.1887210 0.07 1109.1685790 0.01 1111.5268550 0.15 1112.6083980 0.01 1123.0617680 0.02 1140.3864750 0.05 1141.7124020 0.04 1142.4042970 0.03 1144.7998050 0.04 1153.5395510 0.57 1154.3615720 0.29 1199.4080810 0.13 1200.3692630 0.03 1243.5362550 0.08 1244.4914550 0.07 1302.9807130 0.04 1304.4957280 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1122.5006 Annotation Unknow Peak:m/z Relative Intensity 805.6702881 0.50 809.4510498 0.76 810.4702148 1.07 849.4936523 0.09 862.4008789 0.18 867.4034424 0.69 868.3598633 0.15 891.1267090 0.13 909.2321777 0.25 910.5438232 0.15 925.4536133 2.86 926.6042480 0.62 967.0856934 0.06 969.3411865 100.00 970.3879395 31.63 971.3491211 1.36 972.0328369 0.14 972.7163086 0.24 1037.2078860 0.12 1273.7628170 0.68 1275.4711910 28.01 1276.4765620 13.71 1277.2579350 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 76.75369263 0.68 82.94264221 0.26 84.95740509 0.49 86.79666138 0.27 88.96430206 1.54 90.84745789 0.61 93.16532898 0.38 94.92567444 1.58 98.22317505 0.36 98.98536682 0.48 102.5941467 0.81 103.1994934 0.68 103.9544373 0.63 105.0744019 0.54 107.0891113 1.32 109.1714478 0.65 111.0127106 0.86 115.011673 0.28 118.9147949 4.58 122.9075165 2.71 126.6967926 1.03 128.0175476 0.21 128.9288635 6.84 130.3600616 0.23 133.0997925 2.05 135.01474 3.85 136.9627533 0.58 138.1012421 0.56 138.9925995 1.43 141.0543518 2.48 142.9808197 0.72 144.2601776 0.91 145.1241608 0.21 147.1324005 0.76 149.3421478 0.63 150.964859 100.00 151.936142 8.08 154.0014343 1.75 154.9991608 1.95 157.154007 1.28 159.1295776 0.95 161.1894836 0.28 163.1351471 0.21 165.1961212 0.56 166.3046112 3.66 167.1190948 2.92 168.1340027 0.98 169.2292633 2.72 174.2485657 1.67 175.026474 2.45 176.7372894 0.21 179.1085358 2.00 181.151474 0.67 182.1320038 2.86 182.9115753 2.48 185.1528168 2.01 188.8105011 0.91 191.0544891 0.53 193.2536621 2.84 194.0256653 0.22 195.0027618 5.00 197.0714874 13.90 203.3592987 0.43 207.0599213 4.74 208.0588531 0.19 209.310257 1.36 210.3274994 1.87 211.1380768 4.29 217.1135864 7.20 222.1459503 0.27 225.2018127 23.43 231.0838776 2.34 234.5385284 1.12 235.1679688 17.84 236.2120361 2.21 238.1069946 13.01 239.1572113 2.77 251.1270752 1.01 253.0842743 88.82 254.1865082 4.94 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 646.67 Annotation Unknow Peak:m/z Relative Intensity 213.0278320 0.29 303.3818970 0.15 352.8807983 0.12 368.8498535 0.69 370.6099243 0.12 418.9830933 0.51 430.9171143 0.15 432.9709473 1.51 434.0264282 0.29 450.8898926 0.07 470.8041992 0.55 472.8061523 1.58 476.8333130 0.08 477.6838989 0.06 479.2698364 0.29 486.8951416 0.09 488.7549438 1.01 490.9021606 0.13 491.6849365 0.12 495.9458008 0.06 497.7437744 0.61 513.1783447 0.05 528.7874146 2.27 543.4357910 0.15 544.8181763 0.05 560.6973267 13.18 562.6976929 100.00 563.3364868 0.04 570.6906128 0.32 573.7409058 0.27 581.5063477 0.29 582.3450928 0.18 585.8238525 0.10 586.5363770 0.06 590.7706909 0.35 600.7398071 7.11 602.0713501 1.11 603.5703735 1.45 604.6162109 4.14 605.2524414 0.33 619.8571167 0.78 622.9588623 1.37 623.6151123 2.24 624.7645264 0.17 626.7349854 0.27 628.6640015 4.92 638.0554199 0.45 646.0537720 0.28 646.7037964 1.47 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0713 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 104.6495972 0.29 107.1473846 0.40 108.7550354 0.31 117.3174438 1.13 130.9651489 0.20 141.1247711 0.37 146.1557159 1.14 147.0062561 0.19 148.9625702 0.35 153.0688477 0.32 160.9017181 0.19 167.0829315 1.10 169.1093597 2.01 172.8345184 0.15 173.833725 0.71 175.0956879 0.24 176.9408112 0.18 179.2379608 1.34 180.0645294 0.73 183.0780792 0.48 191.0333405 0.40 193.2415466 1.20 194.3930054 0.19 195.1850891 1.56 205.5166016 0.92 206.186203 0.20 207.0983582 9.94 208.1359711 7.70 209.1590576 4.15 212.9567108 1.19 214.9885406 4.23 221.0943146 0.71 222.2197113 3.73 223.1581268 9.76 224.318222 2.32 233.0819855 2.13 234.402359 0.16 236.2156982 0.30 248.3502808 0.26 251.0666962 100.00 252.0869751 8.44 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 478.2918 Annotation PE(18:2(9Z,12Z)/0:0) Peak:m/z Relative Intensity 140.9910278 0.02 144.0882874 0.03 177.3900757 0.12 180.1110840 0.02 191.2019958 0.04 198.0309448 0.08 203.0116882 0.03 206.3150330 0.04 209.1122131 0.01 213.2798004 0.02 216.0151367 0.05 217.0148010 0.04 227.2596436 0.03 228.3199310 0.05 255.0993042 0.02 256.5364990 0.02 258.0812683 0.02 263.3920288 0.04 266.1350403 0.02 268.5598755 0.02 271.0381470 0.01 282.2739868 0.12 283.4009399 0.06 284.4817200 0.04 289.4272156 0.03 300.8815918 0.12 306.3487549 0.30 307.1319885 0.01 312.3305664 0.01 313.5323486 0.03 314.1460571 0.03 316.4286194 0.03 337.2936096 100.00 337.9201050 0.16 344.5826416 0.03 368.3432007 0.02 371.3696899 0.01 377.7792358 0.02 379.4516602 0.02 380.6412659 0.11 382.2687073 0.03 397.2098694 0.03 405.2060852 0.02 413.1527405 0.03 414.7686462 0.02 415.4963379 0.01 417.1765442 0.18 418.0854187 0.04 421.9272766 0.09 426.9067383 0.04 430.1465149 0.12 431.5074158 0.02 432.1421509 0.02 435.1302185 0.11 437.0680847 0.03 443.6744080 0.07 447.2098083 0.05 460.3216858 4.65 461.3107910 0.13 477.8265076 0.04 478.7247620 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 348.07 Annotation dGMP Peak:m/z Relative Intensity 109.1157455 0.10 118.9764938 3.51 129.1077576 0.04 135.9414062 100.00 147.1311493 0.10 148.7962341 0.14 186.1629333 0.05 186.7884979 0.04 195.2627411 0.03 199.0896759 0.10 206.9210510 0.07 215.9212341 0.12 231.1059875 0.24 232.3228149 0.04 234.0138550 0.06 243.3878479 0.03 248.4739075 0.17 250.0514526 0.38 253.0763245 0.08 258.1818542 0.13 274.2276611 0.58 275.1711121 0.69 276.3298950 0.22 279.5584717 0.06 287.4205933 0.16 289.1967163 0.07 305.4406128 0.23 306.6118164 0.04 312.3467407 0.07 319.1379395 0.16 330.1907654 0.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1101.5133 Annotation Unknow Peak:m/z Relative Intensity 325.2211609 12.72 439.4940186 3.20 440.4694214 0.65 484.5932617 2.40 501.3723450 41.53 502.4677124 3.04 515.6993408 0.89 543.6091309 6.08 544.3200684 2.37 587.5140991 9.97 588.8894043 2.28 641.2927246 0.77 644.7825317 1.49 689.5650635 19.39 690.3753052 1.12 731.3988647 2.97 776.3831787 0.65 793.4769287 100.00 794.5072021 34.63 809.3767090 32.83 810.5834961 10.18 923.4604492 1.31 925.8242188 2.56 926.6345215 1.67 969.5086670 2.16 999.6308594 2.09 1000.5815430 0.95 1057.3120120 3.30 1058.1259770 0.65 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.09 Annotation Phenytoin Peak:m/z Relative Intensity 78.88695526 1.81 89.95640564 0.73 91.19425201 0.38 93.1655426 0.56 94.758255 2.53 96.05381775 0.74 102.868927 3.28 104.7419281 1.55 108.9765778 5.38 110.0315704 0.73 118.8347015 0.92 121.1123505 2.81 123.010376 9.37 128.9923553 9.80 130.0275116 1.21 133.0942993 3.76 136.9394989 0.65 141.1643829 0.69 147.2123413 5.53 150.9684906 100.00 151.7214966 6.16 153.1616058 0.96 154.9374847 0.91 156.9874115 4.99 157.9253235 2.22 161.0790558 3.38 163.0509644 1.27 166.8814392 3.35 169.2199249 2.79 171.0993805 6.27 175.1437531 5.83 177.1864319 0.48 177.9586945 1.76 179.1608276 1.56 182.9334564 1.73 186.063446 0.69 189.1637726 0.60 192.9448395 3.44 195.0925446 11.83 197.0031281 2.32 199.1694946 0.69 202.9251099 2.59 206.2828827 0.84 207.1959229 4.32 207.9688721 0.65 208.9646759 7.57 211.0700989 4.15 217.1522675 7.96 225.2387238 13.94 235.0882568 42.11 238.0841064 20.89 239.3469849 0.53 253.09935 89.38 254.0209503 1.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1249.5494 Annotation Unknow Peak:m/z Relative Intensity 416.4179688 0.38 421.7817688 0.08 437.1669617 0.23 439.3965149 0.07 455.5562439 0.33 471.6978760 0.15 483.4501038 0.32 499.3124390 0.09 501.5045471 3.66 509.3873901 0.13 555.3463135 0.04 603.4296875 0.04 609.8184814 0.28 667.7071533 0.13 678.1176147 0.10 679.3322754 0.20 759.0130615 0.21 759.7478638 0.06 777.9025879 0.16 778.5537109 0.20 779.5360107 0.41 808.4713135 0.24 809.4500122 0.97 821.3442383 0.11 851.3879395 0.37 851.9906006 0.11 855.6367188 0.10 879.1706543 0.03 887.7277832 0.08 925.3475342 0.14 941.5078125 100.00 942.4947510 2.71 943.4615479 0.62 997.0788574 0.09 1063.7100830 0.11 1072.6831050 0.11 1081.7032470 0.17 1099.2790530 0.30 1117.5146480 3.41 1118.4768070 26.14 1119.4916990 4.98 1120.1042480 0.09 1129.6318360 0.09 1187.4591060 0.10 1199.2951660 0.10 1205.7258300 0.28 1213.7808840 0.21 1216.5032960 0.03 1230.2990720 2.53 1231.5642090 0.68 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 465.14 Annotation Unknow Peak:m/z Relative Intensity 165.0910645 6.08 167.0873413 0.47 169.0443268 2.35 177.2686005 0.80 181.0044250 1.94 187.3294678 0.41 190.1706238 0.80 205.1593323 0.61 205.9466858 0.45 221.3017731 0.45 223.1637878 1.91 225.1002350 1.10 238.8445435 0.39 241.0645142 51.32 242.1549835 4.75 257.0358887 9.97 259.0405273 100.00 260.0591736 4.74 265.4050903 0.44 269.3305664 0.34 284.2241821 0.53 285.2336426 6.81 299.0412598 0.92 302.1671753 0.34 303.1696167 0.78 313.3579712 0.43 325.3315430 2.49 339.2424316 0.73 359.2640076 0.39 367.2471619 2.42 375.1896667 0.61 379.1183472 0.67 381.1776123 1.76 391.3131104 0.81 405.2878723 5.57 406.1615906 1.53 407.2703247 4.51 409.3486023 1.53 411.5325623 0.41 419.1540222 2.64 420.5330200 1.51 433.3034668 0.35 435.2944641 1.20 437.1383362 5.00 447.1584167 33.51 448.4181213 3.19 449.1110229 3.06 450.4713440 0.88 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0714 Annotation Deoxyinosine Peak:m/z Relative Intensity 105.0384064 0.31 108.6867523 0.40 119.0378876 0.56 122.9588318 0.58 124.1251068 0.27 146.9235229 0.80 147.7246552 0.64 149.024765 0.45 153.2262421 1.09 160.7595978 0.59 165.2956238 0.29 171.180542 0.84 178.9372101 3.28 180.8227234 0.54 193.0098877 0.54 194.0894165 2.07 204.1630096 0.29 205.2162323 0.27 207.1681366 14.86 208.0847015 5.32 209.2347717 4.14 214.801651 3.48 222.0374298 4.27 223.1867676 7.54 233.3539276 2.03 235.2629852 0.48 236.1848755 1.57 251.0803223 100.00 252.1201172 10.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 459.3101 Annotation 22-deoxy-20,21-dihydroxyecdysone Peak:m/z Relative Intensity 129.1484070 0.07 132.9967041 0.22 137.0425720 0.05 139.1491089 0.09 141.0494080 0.43 141.9940338 0.04 143.1769409 0.03 145.0808563 0.05 147.0402832 0.19 156.8129120 0.58 159.3895264 0.07 161.2922516 0.05 165.3093719 0.08 167.0244904 0.13 171.0214081 0.18 173.0645294 0.25 175.2564392 0.16 177.0249481 0.60 179.0051422 0.14 180.8778687 0.10 185.0708313 0.13 189.1355896 0.24 191.1545715 0.06 193.2825012 0.09 195.3662109 0.04 197.0785828 0.03 201.0552979 0.11 205.2385254 0.05 209.1407928 0.26 212.9840698 0.23 215.3167419 0.29 219.0448151 0.51 220.9729156 0.58 222.9660034 0.10 225.2255249 0.08 226.7320251 0.03 229.1427307 0.13 231.1250610 0.84 233.2964325 0.25 237.3822327 0.28 239.1268921 0.04 243.4101868 0.03 245.2720337 0.14 246.9792786 0.61 249.0779724 0.72 251.3014526 0.05 251.9285278 0.09 253.3284912 0.35 255.1895142 0.19 261.2232361 0.18 263.0055237 0.20 265.1531372 1.06 267.3741150 0.24 269.4378662 0.10 271.2263794 0.52 277.2986755 0.17 279.2973633 0.34 281.2396851 0.36 283.3137512 0.96 285.1289673 0.73 287.2853394 0.09 289.1580505 0.13 293.2686157 0.31 295.5128174 0.25 297.2930908 0.13 299.1717224 0.93 301.2263794 15.48 302.3214417 0.06 303.1650696 0.95 309.2284546 0.90 309.8535461 0.12 311.2399597 2.80 313.2839966 0.16 315.2931213 0.14 317.3235168 3.14 319.2258911 0.73 321.3733521 0.58 323.1277161 0.03 325.2045288 0.16 327.3826294 0.06 329.2812500 10.35 331.3339233 1.66 339.3045349 3.22 341.1088562 0.10 343.3165894 1.58 345.3884583 0.07 346.1702576 0.23 347.3054504 9.36 349.2589111 0.09 353.2111511 1.90 355.1192322 0.51 357.2035217 14.33 359.5247192 0.14 360.3687134 0.10 362.9503784 0.03 366.2418213 0.17 367.3111267 0.06 371.3503723 6.48 373.3758545 0.09 375.3622131 2.21 377.6645203 0.13 378.3301697 0.13 379.4973450 0.09 381.3003235 0.10 383.0745544 0.09 387.4046326 0.13 397.5965271 0.38 398.5819397 0.05 400.5507202 0.06 402.4060364 0.11 405.3167419 1.45 409.7868042 0.18 413.3204041 0.23 415.3472595 0.33 422.7888794 0.47 423.4347839 7.48 427.5832520 0.08 432.4447937 0.09 437.4078369 0.21 441.3084412 100.00 441.9390564 0.41 443.0828857 0.03 445.3479919 0.19 449.9927063 0.42 459.5658264 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1137.5375 Annotation Unknow Peak:m/z Relative Intensity 656.1616821 0.03 767.7958984 0.02 781.7742920 0.08 785.7365723 0.17 798.5923462 0.01 799.6258545 0.37 805.1217041 0.04 855.4047852 0.02 863.4758301 0.06 899.7037354 0.09 900.5667725 0.02 901.6749268 0.02 917.2084961 0.05 925.6929932 0.19 929.9561768 0.04 938.2808838 0.06 943.0502930 0.30 943.6643066 4.07 955.6389160 0.02 959.6633301 0.20 961.5317383 100.00 962.2669678 0.17 975.6916504 0.10 989.6790771 0.02 1003.7717290 0.08 1005.8173830 0.06 1057.7734380 0.08 1075.6135250 0.97 1086.3671880 0.03 1094.0191650 0.04 1101.6052250 0.45 1104.4384770 0.29 1119.0358890 1.31 1119.6898190 6.76 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 949.2456 Annotation Unknow Peak:m/z Relative Intensity 267.2510376 0.38 268.3229065 0.10 269.0385132 0.51 270.0954285 0.33 270.9278870 0.86 277.9877319 0.14 283.1736755 0.70 283.7828369 0.13 287.0557251 8.29 288.1855164 3.01 289.3484497 0.26 291.0834351 0.16 293.1589050 0.32 294.1391296 0.31 295.1102295 0.55 296.2048340 1.03 298.1125183 1.28 299.0099487 0.84 301.1706238 0.39 302.2314453 0.22 303.1597595 6.75 304.1146545 0.59 305.0028992 0.75 305.8114624 0.63 309.0985107 0.09 311.2919006 1.03 312.3109131 1.94 313.1022644 1.90 314.3254395 1.17 315.0532227 18.80 316.1401978 17.13 317.1571350 2.02 318.0079041 0.10 323.0541077 0.70 325.3525391 0.13 327.1552734 1.48 328.1824951 0.18 330.0543823 44.54 331.0856934 53.44 332.1028442 6.88 335.9539795 0.22 337.2605896 0.07 338.1943665 0.53 339.4383240 0.24 340.2135010 0.56 341.3358765 0.60 342.6029053 0.69 343.3158569 0.18 346.4421997 0.25 347.1529846 0.22 348.4063721 0.10 349.1149292 0.90 350.3762817 0.07 350.9940491 0.13 352.3839722 0.39 355.1101990 3.08 355.9414673 1.10 357.2120972 0.39 358.1484070 1.78 359.2037354 1.59 361.4883423 0.33 364.1945801 0.27 366.2705383 0.31 367.1450195 0.35 370.0942078 0.95 371.1572266 0.36 373.1501770 29.78 374.1369629 6.00 379.1227112 0.52 381.2994995 0.16 382.6206055 0.87 383.3829956 0.42 385.1830444 2.55 386.2137451 0.29 387.2760010 0.12 388.2241211 0.29 395.1372375 0.47 397.3142700 2.02 398.2211304 0.53 399.4129028 0.44 403.1507568 3.57 404.3907471 0.19 409.1324463 0.24 411.3132935 0.10 413.1117554 0.19 415.1442261 0.20 416.0128174 0.66 421.2717896 0.23 421.8779297 0.13 424.1746826 0.66 433.4320679 0.18 439.3059082 0.82 440.0237427 0.29 440.6364136 0.15 445.0980835 0.09 457.2620850 2.43 460.9548340 0.17 463.0115967 1.08 471.2406006 0.26 475.3757324 0.89 485.1981812 0.15 490.2672729 0.83 493.3930054 0.39 505.2139893 23.50 506.2817383 3.26 507.2266235 0.17 510.9408569 0.29 513.2198486 0.99 514.3306885 0.60 523.5132446 0.77 527.1914062 0.20 536.3770142 0.28 542.2573853 0.62 565.6171265 0.33 575.9512329 0.56 589.2369995 0.37 592.7302856 0.09 594.6709595 0.26 595.4726562 0.09 599.1864624 0.41 603.1406860 0.15 605.3892212 0.23 606.2883911 0.24 607.3125000 0.46 609.6333618 1.08 610.2607422 0.39 611.1688843 0.58 612.1796875 0.05 617.3944702 0.82 618.2169800 1.31 619.3798828 0.20 621.0388184 0.08 622.9483643 0.41 625.1891479 1.67 626.4055176 0.68 637.3511353 0.57 638.1936035 0.34 639.2246094 0.42 641.3649292 0.17 643.3339844 1.28 645.6317749 0.18 652.4229736 0.19 654.0942993 0.17 655.0386353 1.27 658.3348389 0.16 663.3155518 0.07 665.5398560 0.20 673.7284546 0.08 676.5753784 0.14 685.4843750 0.27 687.1964722 0.24 695.1268921 0.14 699.4419556 0.29 710.3391724 0.12 713.3663940 0.07 719.6843262 0.24 722.7182007 1.02 723.3636475 0.62 724.3699341 0.71 727.3112793 1.85 730.7627563 0.19 731.3630371 0.31 735.4293823 0.36 736.3499146 0.18 737.2871094 0.86 738.6144409 0.09 739.3613281 0.40 740.3432007 0.78 741.2552490 0.28 742.2344971 0.41 748.0357056 0.35 749.2609253 0.35 755.4216919 2.00 756.3553467 0.78 758.0604248 0.72 760.6084595 0.77 763.2302246 0.64 764.2862549 0.12 766.3430786 1.28 767.3139038 0.85 768.6453247 1.10 769.6329346 0.89 770.3707275 1.27 771.3833618 0.32 773.3274536 1.25 774.2951050 0.25 781.3716431 2.59 782.1049194 0.81 782.8191528 0.30 784.2988281 1.69 785.2788696 1.10 787.2766724 10.09 788.3132324 6.63 790.3934326 0.07 795.3646240 0.10 799.2858276 31.83 800.3352661 18.44 801.5347290 1.36 802.2381592 1.52 803.5712891 1.67 804.3383179 0.82 815.4313354 0.16 817.2858887 100.00 818.3182373 41.97 819.3327637 1.05 820.4218750 0.49 825.4741821 0.91 831.0233154 0.41 840.4569092 0.22 842.1802368 0.19 851.4619751 0.94 859.3634644 1.19 860.3746338 1.18 862.3418579 0.18 873.2919312 0.37 877.4476318 0.21 887.2109375 0.22 889.8814697 1.43 890.7879028 2.17 903.5773315 1.24 905.4953613 1.22 913.8029175 0.09 916.5669556 0.27 918.6024780 0.70 919.4420776 0.33 931.3341064 4.23 932.1169434 2.15 934.2819214 11.66 935.3580933 7.28 936.0603027 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 325.0928 Annotation 6-O-p-Coumaroyl-D-glucose Peak:m/z Relative Intensity 119.0474548 6.87 119.7073593 0.07 122.5081024 0.03 145.2891541 0.14 148.0723267 0.14 162.9940491 100.00 187.0397186 0.04 205.1357727 0.10 263.2790222 0.04 265.1060486 0.02 281.3759155 0.10 305.7544556 0.03 307.2602539 0.07 310.2903137 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 333.059 Annotation alpha-D-Galactosyl-(1,1')-sn-glycerol 3-phosphate Peak:m/z Relative Intensity 96.9392548 0.45 151.0018311 1.03 152.9096985 100.00 171.0233459 2.64 241.0930481 86.66 248.9917908 0.13 259.0514832 1.17 272.9770508 0.08 289.2161255 0.04 314.9735718 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 479.7087 Annotation Unknow Peak:m/z Relative Intensity 174.1821442 0.03 192.1520691 0.11 209.4132080 0.34 215.1972351 0.16 218.3905029 0.24 219.8939209 0.05 226.3052826 0.09 228.2730255 1.25 229.0872650 0.06 241.2879333 0.16 246.9554443 0.10 253.1705627 0.06 256.3243103 0.44 259.2953491 0.15 264.0321655 0.07 270.9536133 0.05 275.0871277 0.06 281.2344666 0.14 283.4713135 0.35 284.4052734 0.13 299.3792419 0.12 301.1894226 0.06 306.0158081 0.10 307.1897583 0.23 309.3814697 0.11 311.2334290 0.15 316.9764404 0.09 318.9001465 0.72 322.2806091 0.09 333.3481750 0.25 337.2723389 0.11 344.9551392 0.30 349.1917725 0.24 351.0818481 0.03 353.0688477 0.14 363.6377563 0.21 365.9913025 0.24 373.9201660 0.28 378.6155090 0.21 379.7717590 0.08 387.5059814 0.35 389.7391052 100.00 390.8904114 3.25 392.0595398 0.08 393.1854553 0.20 398.0227356 0.07 399.3894958 0.09 400.8665466 0.15 405.3937378 0.48 407.5195618 14.16 408.8271179 1.01 409.5105286 0.04 415.0114441 0.96 417.6708984 0.59 418.9584656 0.52 425.5974426 0.70 430.7114258 0.54 432.8121033 0.15 434.7693481 53.11 435.8275452 33.02 436.8398743 1.10 437.8239746 1.37 438.9251404 3.46 442.5878906 3.91 443.4687805 0.60 448.2481384 0.28 450.2129211 0.82 451.6611023 4.07 452.4284973 3.34 453.3392944 0.24 453.9404602 0.05 455.7261353 0.14 456.5627747 3.20 457.1904602 0.04 458.6708069 4.06 459.2774048 3.49 461.2319031 1.92 462.1546021 1.37 463.1065369 0.14 464.9759216 2.84 466.0513611 3.79 467.3186951 0.58 468.0712585 0.99 470.4275818 2.83 471.2572632 0.11 472.1594849 0.95 473.4441528 0.28 476.2805481 0.18 477.4510803 0.33 478.5317688 0.22 479.8526917 1.58 480.9225464 0.54 483.1467590 0.58 487.7481384 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 947.2462 Annotation Kaempferol 3,4'-diglucoside 7-(2-feruloylglucoside) Peak:m/z Relative Intensity 271.0620422 0.07 272.0464783 0.27 287.1421204 0.06 298.0814209 0.05 299.2865906 0.14 300.3351135 0.05 311.2851257 0.05 313.3577881 0.03 314.0670166 1.33 315.2244568 0.84 322.8925781 0.07 327.2492371 0.06 327.9180908 0.03 329.2094116 0.33 336.7671509 0.04 339.0166626 0.04 341.1759033 0.03 344.3672180 0.16 345.3102722 0.52 351.1848755 0.21 353.3221741 0.11 357.1725464 0.15 365.5719299 0.07 366.3755493 0.05 371.2742004 0.13 373.1395874 0.03 379.4847717 0.05 381.1685791 0.03 385.1372681 0.24 398.1196899 0.07 404.4421387 0.04 417.2839050 0.09 423.1396484 0.12 429.1346436 0.13 441.4937744 0.23 445.2503052 0.11 454.9161987 0.10 459.3016357 0.10 460.8723755 0.04 465.3015747 0.04 471.3172607 0.09 477.6119995 0.04 485.3828125 0.54 487.4276733 0.04 489.0847778 0.20 490.0789795 0.07 491.1134033 0.15 509.2861328 0.04 527.4356079 0.06 531.1310425 0.08 545.3589478 0.09 585.3992310 0.16 599.4858398 0.07 603.1677246 0.19 605.4395142 0.02 607.4655151 0.06 609.3366089 0.67 617.3335571 2.38 621.2905884 0.79 623.0908813 0.05 625.4642944 0.04 631.3421631 0.59 633.4923706 0.07 639.2854614 1.23 640.7129517 0.10 653.1776123 0.06 657.5007324 0.02 671.4331055 0.08 678.4983521 0.03 681.5234375 0.14 703.0618286 0.16 707.4587402 0.04 712.4581299 0.06 723.5081177 0.13 738.4738159 0.02 739.2570801 0.24 753.3445435 37.23 754.2011719 0.10 756.2141113 0.18 762.5925903 0.04 766.9495239 0.31 767.6902466 0.20 769.3939209 0.15 771.2986450 100.00 771.9436646 0.79 772.5645752 0.08 783.3097534 2.34 785.3499756 27.93 797.3428955 1.39 799.5678101 0.05 801.2285156 10.26 801.9296265 0.05 811.3634644 0.31 815.3357544 1.29 816.2429810 0.09 827.6864624 0.03 879.4766235 0.03 915.4385376 0.47 918.3722534 0.07 919.2809448 0.02 928.9505005 0.12 929.6294556 0.37 932.3728027 0.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 295.1187 Annotation Phomopsolide B Peak:m/z Relative Intensity 96.9472656 0.33 97.9118118 0.03 108.8982468 0.28 110.8836212 0.06 113.2449799 0.23 121.0617523 3.45 122.0385437 4.02 123.0821762 0.32 124.8043747 0.24 127.0127869 1.73 133.2066956 0.05 135.0509338 0.63 136.2020264 0.87 137.0780640 9.04 139.0991821 0.37 145.0065613 1.79 146.0510254 0.09 151.1542664 0.78 160.2170258 0.04 161.1085205 1.70 162.1377869 0.08 162.9628754 1.60 164.0995178 0.07 167.1844788 0.36 172.9345551 0.62 174.4892578 0.27 175.1576385 2.17 177.0826111 7.58 177.9659119 0.07 179.2464294 1.56 184.5090027 0.20 185.1264038 1.39 187.2192841 0.08 188.1640015 0.24 189.1679993 0.21 191.1169128 1.08 193.1251678 0.44 203.1525574 100.00 205.1268921 0.82 206.1423035 0.76 207.2883606 0.34 215.1752625 0.60 221.1932373 27.61 222.9576111 0.17 233.1439514 21.70 248.3824463 0.09 249.0441284 0.16 250.9571533 1.09 251.5719604 0.32 257.9949341 0.21 259.1754150 0.37 261.2226257 0.15 263.1679077 0.05 265.4124146 0.18 267.9671631 0.26 277.1250610 0.52 278.2303467 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 182.0807 Annotation 4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline Peak:m/z Relative Intensity 135.9819794 24.69 150.0467987 0.06 164.9351044 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1005.6145 Annotation Unknow Peak:m/z Relative Intensity 286.1959534 0.15 287.0987549 1.21 295.0874329 0.14 301.2517700 0.40 302.1631165 0.52 315.1990967 0.52 327.2513428 0.31 329.2112427 0.16 330.1215210 2.60 338.0792236 0.10 341.3273621 0.25 345.1612244 19.24 387.1569214 0.20 397.2713623 0.38 399.0215149 0.03 439.5711670 0.03 481.3669128 0.07 485.3609314 0.48 492.2221680 0.31 499.3363037 15.01 507.2560425 1.27 515.1389771 0.08 541.7517090 0.12 581.7338867 0.09 595.2768555 0.07 651.1923828 2.59 655.0400391 0.13 661.4018555 0.45 665.3193359 0.12 669.4176025 3.10 683.4724121 0.13 711.0275879 0.08 725.2193604 0.13 751.1608887 0.09 769.4266357 0.07 783.3625488 4.64 786.3720703 0.05 787.0179443 0.29 797.4891357 0.23 801.4196777 15.09 802.4056396 0.57 813.2476807 0.28 815.2662354 4.59 816.1717529 0.35 827.2596436 0.43 831.3308105 3.01 845.2390137 100.00 845.8648682 1.09 869.6857910 0.17 873.2132568 0.13 874.9699707 0.14 887.2388916 3.40 887.8465576 0.07 899.1887207 0.12 929.3364258 0.06 931.3061523 0.04 971.2841797 0.17 976.3088379 0.07 977.4428711 0.11 979.4313965 0.19 989.4531250 0.99 991.2219238 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 993.2498 Annotation Kaempferol 3,4'-diglucoside 7-(2-feruloylglucoside) Peak:m/z Relative Intensity 287.0941772 0.02 303.0739746 0.02 312.3632812 0.05 313.3705750 0.01 315.4745789 0.34 316.1268311 1.09 317.2180786 0.04 327.2695312 0.10 328.1778259 0.01 329.1562805 0.01 331.1337280 4.16 332.2449951 0.37 345.1172791 0.01 353.1228638 0.06 360.0092163 0.02 373.1451111 0.22 374.4576111 0.01 380.5278320 0.01 383.1029053 0.10 425.2585144 0.05 460.4523315 0.01 465.8933105 0.01 474.9630737 0.01 475.8237915 0.06 478.2651672 0.05 479.4472046 0.02 485.3056641 0.87 486.1583252 0.08 493.2020874 2.00 494.2287292 0.38 499.4492188 0.04 500.2767944 0.03 507.2535400 0.01 535.1663818 0.08 536.2239990 0.01 637.2601318 1.28 638.2965088 0.20 647.1900635 0.06 651.3906250 0.01 655.2741699 17.89 656.3392334 3.58 668.7363281 0.06 669.3414307 0.84 670.2215576 0.12 674.3676758 0.05 679.3974609 0.02 680.2287598 0.01 697.2519531 0.30 698.4039917 0.08 721.4789429 0.03 778.3629150 0.02 799.3084717 0.49 800.5219727 0.07 813.0738525 0.04 817.3104248 6.06 818.2567139 1.89 818.9200439 0.01 829.1072998 0.02 831.2338867 100.00 832.1922607 25.50 832.8736572 0.11 855.7393799 0.06 872.6071777 0.15 873.2921143 0.78 874.3920898 0.30 903.4931641 0.04 904.5809326 0.01 914.9910889 0.01 931.5783691 0.02 951.5389404 0.03 957.0085449 0.04 961.2650146 0.08 975.2233887 0.11 976.4353027 0.08 978.1816406 0.01 979.1572266 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 501.1722 Annotation Unknow Peak:m/z Relative Intensity 162.9427948 0.16 164.1166687 0.05 177.2644501 0.09 191.1988831 0.05 200.2058105 0.04 205.1198425 0.26 211.0390015 0.05 217.0431061 0.03 219.1799011 1.34 227.0429230 0.08 231.2285461 0.05 236.2846985 0.05 253.2633667 0.05 255.5650024 0.07 259.2123718 0.11 265.2830200 0.12 272.3097229 0.05 283.1457214 0.07 294.2934570 0.03 295.3054810 0.07 296.9198608 0.05 310.1936340 0.03 318.2203369 0.05 321.0035400 0.71 331.1838989 0.03 337.2175293 0.30 337.9167786 0.05 339.1957397 100.00 345.2917786 0.24 347.0047913 0.19 353.5303345 0.13 355.2214355 0.68 356.2467041 0.11 357.1141052 1.06 357.9694824 0.02 367.3056030 0.05 380.3318481 0.05 381.3555603 0.06 385.9693604 0.05 393.4422302 0.05 397.3636780 0.04 405.5264587 0.05 412.1330261 0.05 413.2827759 0.05 415.2484436 0.20 416.1980286 0.06 428.9706116 0.04 437.0071106 0.32 439.2229004 0.11 447.3736267 0.09 454.7566833 0.27 455.3799133 0.79 457.1007996 0.76 458.1514282 0.23 463.1468201 0.16 465.2313232 0.49 466.3922729 0.05 470.4814758 0.10 471.6216431 0.07 478.5662231 0.03 482.8119507 0.45 483.5190735 0.53 484.4097595 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 611.1444 Annotation Oxidized glutathione Peak:m/z Relative Intensity 177.3214569 0.06 179.0810852 2.72 179.8237000 0.08 185.0371094 0.23 190.9608307 0.06 192.1017456 0.23 193.3870544 0.08 197.0228729 0.07 200.0899963 0.07 203.1803589 0.39 204.0807495 0.10 208.0708008 0.19 210.0458984 3.47 216.2963867 0.37 226.1389313 0.11 227.8769836 0.52 231.2067261 0.29 241.9407501 0.20 246.1275940 0.41 252.2095032 0.05 254.1511536 13.56 272.2107239 33.66 286.2606506 1.92 288.1645508 4.35 304.1471863 15.57 306.1044312 100.00 320.0557556 0.20 338.0607300 43.75 353.2593384 0.19 362.3838501 0.15 419.1223145 0.46 430.1406860 0.30 446.9166870 0.11 464.2172852 1.25 482.1575928 39.06 482.7730713 0.18 495.4320679 0.62 513.1925659 0.22 547.5800781 0.05 575.3141479 0.89 576.4101562 0.06 593.2673340 14.56 594.2331543 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 191.02 Annotation Diketogulonic acid Peak:m/z Relative Intensity 84.9364166 0.61 87.0155182 1.13 103.1453705 0.01 110.9040222 100.00 129.0633850 2.11 130.9665375 1.29 146.8994598 0.07 154.9514771 0.39 172.8710022 21.81 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1084.2596 Annotation Unknow Peak:m/z Relative Intensity 331.0858154 0.41 354.1998291 0.05 396.7244873 0.05 558.4465332 0.09 677.1025391 0.02 718.6542969 0.05 728.2409668 0.06 729.4392090 0.08 769.4521484 0.14 783.7891846 0.08 787.1987305 5.95 787.8422241 0.11 854.7159424 0.09 858.5640869 0.15 880.2888184 0.12 887.6999512 0.06 903.2208252 0.03 952.0505371 0.12 955.3669434 0.06 963.2412109 100.00 963.9266357 0.23 969.3522949 0.06 979.6098633 0.04 980.4028320 0.17 996.1730957 0.04 997.4262695 0.44 1001.6879880 0.03 1002.9627690 0.15 1020.5919190 0.03 1052.0150150 0.12 1062.6889650 0.04 1066.1123050 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 892.6167 Annotation Unknow Peak:m/z Relative Intensity 260.9174194 0.16 282.1462402 0.68 329.4277344 0.65 334.3719177 0.10 357.3381042 0.54 387.3983765 0.13 392.0935669 0.18 406.4620361 0.20 408.3049927 0.08 429.4836426 0.50 430.4725342 0.78 431.5137939 0.34 440.9378662 0.13 442.3244629 0.16 445.4017944 0.34 452.3715820 0.18 457.2437134 0.10 473.7404175 0.14 488.8681641 0.11 501.1885376 0.56 507.5298462 0.31 511.6979980 0.59 513.1323853 0.19 542.0646973 0.37 546.3984985 0.21 550.0351562 0.39 559.4816895 0.07 561.2400513 0.08 584.1865845 0.40 590.4312134 0.26 599.4407959 0.34 600.2096558 0.70 608.1047363 0.25 623.3141479 0.24 624.7368164 0.13 626.9199829 1.12 639.7450562 0.17 645.1814575 0.12 659.8662720 0.51 677.1128540 0.20 680.6046143 0.29 685.4606323 0.33 698.0620728 0.22 702.1058960 0.45 704.2633057 0.09 717.6630249 0.22 730.3251343 0.25 734.0823364 0.67 746.3957520 0.07 770.7030640 0.26 773.5914917 0.20 774.3035278 0.46 788.6234131 0.82 799.6936035 2.67 800.7261963 0.77 802.5484619 1.35 805.5776367 0.36 808.6205444 0.57 809.4689331 0.31 811.4919434 1.27 819.2578125 0.59 823.5537720 5.45 825.4531860 1.09 826.6288452 0.06 828.2072144 13.07 829.6057129 3.63 831.8843994 4.25 832.8387451 10.42 833.6585083 0.99 835.8969116 6.17 836.9334106 3.45 838.1359863 0.17 839.9849243 5.57 840.6355591 0.33 841.3831177 0.64 843.7736206 1.12 847.4179077 3.68 848.5090942 0.47 849.8623657 0.55 851.2568970 1.46 852.1498413 2.33 853.3485107 19.99 854.0014038 1.23 855.9077148 9.67 856.9013672 8.38 857.8171997 26.27 858.8944092 2.92 860.0411377 6.78 860.7301636 11.26 861.7383423 0.67 862.9058228 2.42 864.0099487 5.10 864.7605591 21.51 865.8046875 2.67 867.0499878 0.10 868.3855591 6.55 869.1422729 1.27 869.8376465 1.24 870.6370850 0.89 872.1853027 3.67 872.8978882 4.24 874.4912720 1.02 875.6196899 0.31 877.2094116 11.01 877.9259644 0.04 879.4555054 2.82 881.6057129 29.49 882.7219849 1.92 883.5862427 2.63 884.2531128 2.56 885.0236206 0.37 886.1803589 0.38 887.7665405 0.64 893.6903076 2.37 895.1163940 0.17 895.7660522 0.73 918.2858276 0.34 931.2805786 0.17 932.3229370 0.50 947.9392700 0.44 952.6024780 0.76 954.1331177 1.08 964.0387573 1.27 972.7922363 0.07 982.0963745 0.21 983.8292847 0.78 985.4895020 0.48 994.8957520 0.28 999.6203003 0.15 1000.7084350 1.27 1005.2825320 0.75 1007.4308470 0.61 1010.8490600 1.04 1011.4550780 1.35 1013.7557980 5.26 1014.5576170 2.28 1018.0585940 1.80 1018.9794920 0.10 1020.4489750 0.56 1021.3222660 2.53 1022.3506470 0.11 1026.4460450 0.47 1027.0576170 4.22 1032.2155760 0.57 1033.2257080 3.22 1034.1135250 1.44 1038.8260500 0.96 1040.9240720 0.56 1047.6457520 0.99 1050.1401370 0.78 1053.8651120 1.57 1055.0305180 1.41 1055.7674560 0.06 1057.0772710 1.02 1059.4405520 2.14 1060.2736820 5.69 1064.3671880 0.48 1066.0191650 3.54 1066.6887210 3.92 1068.3818360 0.22 1069.6372070 0.31 1070.3125000 0.78 1070.9852290 1.50 1071.6750490 1.92 1072.7243650 0.41 1076.1701660 7.95 1077.1051030 0.60 1079.8791500 1.75 1080.6199950 0.80 1081.5333250 3.21 1082.2194820 12.75 1085.3898930 1.61 1086.2871090 0.73 1087.2169190 0.28 1089.0156250 0.79 1091.6298830 1.64 1092.3184810 0.17 1093.2658690 0.88 1097.2724610 4.09 1098.0278320 10.60 1098.7207030 1.05 1099.7709960 1.48 1100.4998780 0.10 1101.6555180 0.60 1102.7377930 3.13 1103.7800290 26.10 1104.7282710 0.83 1107.0325930 0.98 1108.9198000 24.68 1110.2866210 2.08 1110.8878170 0.89 1111.6586910 0.97 1113.4644780 18.08 1114.5083010 23.83 1115.4769290 16.02 1119.6379390 20.59 1120.4669190 4.99 1121.8946530 0.37 1124.0554200 0.40 1125.3642580 3.29 1127.1076660 2.34 1127.9838870 0.68 1128.9405520 0.23 1129.8518070 1.76 1130.5299070 1.11 1131.6645510 5.59 1132.8149410 1.73 1133.8878170 0.48 1135.4310300 16.78 1136.0356450 4.26 1136.8864750 0.90 1137.9549560 1.13 1139.1914060 2.05 1140.1638180 1.03 1141.4095460 39.63 1142.2647710 13.16 1143.1418460 1.67 1144.1300050 1.71 1145.4926760 3.75 1146.6721190 100.00 1147.8225100 3.08 1148.4636230 1.44 1150.0601810 0.55 1151.2995610 34.59 1152.3648680 79.93 1152.9849850 72.56 1153.7934570 4.36 1154.6773680 0.15 1155.7634280 2.00 1156.8424070 11.42 1157.4571530 42.55 1158.3836670 0.87 1159.0504150 0.54 1160.6541750 0.16 1161.3471680 0.64 1166.7807620 1.99 1167.5507810 0.38 1177.1407470 0.83 1177.7541500 0.28 1186.8852540 0.91 1212.0002440 0.52 1218.2985840 0.45 1223.4958500 0.34 1225.8918460 0.47 1226.8273930 1.40 1227.6026610 0.51 1229.5524900 1.52 1230.4055180 0.15 1235.4552000 1.27 1236.1516110 2.05 1238.4021000 0.24 1241.4731450 0.11 1244.4853520 0.16 1245.1439210 0.69 1262.7917480 0.17 1269.2556150 0.44 1271.2813720 1.09 1274.6523440 0.41 1276.2241210 0.89 1283.1346440 0.42 1296.5397950 0.51 1297.1405030 0.66 1302.7883300 0.12 1306.6514890 0.29 1319.3072510 0.55 1333.5677490 1.34 1335.2845460 0.62 1341.8687740 2.21 1342.5474850 0.46 1352.4060060 0.34 1357.4080810 0.08 1359.8999020 0.41 1378.0448000 0.40 1379.5428470 0.50 1385.8688960 0.73 1392.2954100 0.10 1397.4691160 0.10 1399.8381350 1.00 1419.9174800 0.23 1440.6584470 0.88 1441.2895510 1.40 1447.9128420 0.13 1450.4315190 1.06 1459.1417240 1.07 1459.8892820 0.36 1471.5351560 0.12 1472.9066160 0.26 1476.8074950 0.35 1481.2208250 0.21 1487.5592040 0.24 1514.5473630 1.86 1523.8907470 0.38 1530.6124270 0.29 1538.3826900 0.17 1555.6962890 0.30 1568.1448970 0.07 1573.6343990 0.17 1585.3568120 1.05 1591.6488040 0.44 1595.4992680 0.46 1601.5423580 0.49 1609.3327640 0.28 1629.8918460 0.27 1634.8829350 0.13 1648.0964360 0.84 1678.2012940 0.12 1686.9908450 0.27 1744.0534670 0.11 1770.9240720 0.52 1784.6959230 0.26 1831.1241460 0.42 1850.4588620 0.13 1868.9444580 0.14 1912.7969970 0.66 1958.1613770 0.36 1976.5964360 0.10 1989.5648190 0.12 1995.6248780 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 856.3538 Annotation Unknow Peak:m/z Relative Intensity 261.1894531 0.07 278.3384399 0.07 305.0787659 0.11 347.3724365 0.09 364.5062866 0.02 376.1121521 0.06 379.4878540 0.05 436.0239868 0.10 478.4884644 0.03 486.4660645 0.14 492.5387573 0.05 497.4536133 0.06 524.3290405 0.05 542.7993164 0.16 595.3536987 0.05 630.3792114 0.39 639.2605591 0.23 662.1017456 0.03 681.3610840 0.05 695.5045776 0.03 705.6625977 0.26 722.3005371 0.03 757.4168701 0.15 758.6489258 0.14 759.2619629 0.33 760.0189209 0.26 763.6394043 0.60 772.1276855 0.27 775.6725464 0.41 780.7150879 0.44 782.0028076 0.14 787.7246704 0.81 792.0091553 0.88 792.6874390 0.03 793.4582520 0.26 794.2526855 0.11 797.1702881 0.18 800.5543823 0.09 801.3911743 0.39 803.7540894 0.08 804.6448364 0.48 805.7890625 0.17 814.6018066 0.14 816.1920776 0.24 817.8888550 0.36 820.2225342 0.82 820.8632202 1.08 821.9502563 1.86 822.7076416 0.04 823.4731445 0.35 824.3144531 1.17 827.8237915 0.52 828.7623901 3.48 829.5062866 0.69 830.6055298 0.10 832.1503296 0.18 832.8471069 0.02 834.0141602 0.13 834.6165161 0.15 836.5845337 0.19 837.9849854 0.93 838.8386841 0.16 840.1834106 0.10 843.8732300 0.07 845.5037231 0.60 846.1589966 1.35 847.8837280 0.32 851.0866699 0.22 852.6483765 0.04 872.6383667 0.14 890.3035278 0.04 902.5884399 0.16 967.9943237 0.13 969.3295288 0.28 970.5584106 0.10 971.3504028 0.09 974.5437622 0.30 976.7228394 0.28 977.5271606 0.34 978.7097778 0.35 984.7724609 0.35 985.4523926 0.41 986.5033569 0.32 999.8966675 0.23 1002.9921260 0.07 1004.9786990 0.23 1008.1380000 0.07 1009.0559080 1.12 1011.8417360 0.56 1012.6614380 0.25 1015.5154420 0.12 1017.6306760 0.83 1018.6358030 0.33 1019.2764280 0.19 1023.5593260 0.16 1027.2719730 0.28 1028.2851560 0.61 1034.3002930 2.14 1035.0321040 0.10 1039.4230960 0.61 1041.4932860 0.13 1042.5823970 0.21 1044.0167240 0.28 1045.8676760 0.12 1046.8909910 0.09 1049.5839840 1.44 1050.3771970 0.17 1052.0123290 0.47 1053.4836430 0.02 1055.5742190 5.85 1056.2808840 2.80 1057.0742190 1.77 1057.9445800 0.49 1058.6796880 0.43 1059.9141850 0.20 1061.3983150 0.55 1062.4735110 0.61 1064.0252690 0.24 1066.6955570 4.88 1067.4891360 5.36 1068.1791990 0.79 1069.7532960 0.07 1071.2114260 0.91 1071.8291020 13.47 1073.0192870 1.59 1073.6978760 0.10 1076.1059570 0.44 1077.9414060 0.10 1080.4595950 0.04 1081.2246090 0.27 1082.5983890 0.22 1084.4075930 0.17 1085.0427250 0.16 1087.4553220 0.86 1089.3120120 0.49 1091.0317380 0.32 1093.0961910 6.06 1093.8293460 15.18 1095.2141110 3.69 1096.3105470 0.64 1098.2043460 1.83 1098.8950200 3.87 1099.7790530 0.85 1100.5650630 0.69 1104.1153560 9.88 1104.8476560 100.00 1105.7033690 17.04 1107.1882320 0.99 1108.9052730 1.82 1109.5473630 23.72 1110.4377440 3.43 1111.2031250 0.06 1113.1922610 0.23 1113.9497070 0.20 1116.1103520 0.09 1119.1773680 0.42 1122.0617680 0.54 1122.8103030 0.16 1128.9755860 0.27 1135.4163820 0.09 1152.9184570 0.16 1158.7954100 0.17 1163.4653320 0.12 1171.4169920 0.34 1172.2633060 0.66 1172.9704590 0.41 1178.6052250 0.12 1182.0642090 0.17 1202.6470950 0.04 1213.0446780 0.16 1216.3823240 0.07 1219.2551270 0.03 1221.5405270 0.22 1228.5749510 0.14 1250.9541020 0.17 1271.2371830 0.21 1274.7681880 0.14 1277.5781250 0.38 1278.2252200 0.23 1279.0155030 0.37 1279.6362300 0.09 1280.8231200 0.17 1288.6722410 0.04 1302.3500980 0.15 1304.8048100 0.37 1316.7120360 0.12 1328.5123290 0.03 1332.7014160 0.21 1336.1724850 0.03 1339.1817630 0.19 1357.7464600 0.13 1372.1865230 0.21 1377.5999760 0.07 1384.9608150 0.08 1394.6182860 0.18 1395.2830810 0.28 1410.3394780 0.36 1424.9976810 0.04 1444.0649410 0.20 1450.7640380 0.04 1455.5821530 0.15 1456.4827880 0.13 1477.4919430 0.19 1499.6966550 0.03 1501.6981200 0.10 1510.1331790 0.05 1515.4866940 0.08 1526.8729250 0.25 1535.3137210 0.12 1536.4276120 0.05 1542.7513430 0.24 1550.1057130 0.26 1631.6145020 0.04 1662.3673100 0.07 1691.7489010 0.13 1701.3449710 0.23 1739.8264160 0.03 1754.7403560 0.05 1812.3460690 0.03 1820.4708250 0.08 1859.7957760 0.06 1878.3195800 0.03 1928.9328610 0.08 1958.8865970 0.16 1979.7336430 0.09 1987.8101810 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 478.2919 Annotation PE(18:2(9Z,12Z)/0:0) Peak:m/z Relative Intensity 144.0628204 0.03 149.2084808 0.05 153.0604858 0.08 155.0206604 0.34 162.1373138 0.07 167.2752075 0.04 173.3320923 0.05 179.0195312 0.15 191.1811218 0.09 197.0113220 0.39 198.0950623 0.18 201.1195984 0.20 204.6497803 0.25 209.3974304 0.13 211.1217804 0.23 212.1686096 0.15 213.1262665 0.06 216.0684509 0.70 224.3634033 0.30 228.3467712 0.74 229.3882751 0.15 239.3029327 0.10 245.2493134 1.36 252.8984375 0.13 254.3695374 0.07 255.2573547 0.17 258.2991943 0.04 260.7486267 0.08 263.2715149 2.97 267.1105347 0.04 268.1267700 0.04 273.3015137 0.20 275.3177795 0.16 280.3694763 0.29 282.4046936 0.98 283.3591309 0.62 285.4906616 0.16 286.9815674 0.29 294.1971436 0.10 295.1022339 0.06 306.2360229 0.88 307.1729736 0.33 313.1798706 0.62 313.9707642 0.04 319.2341919 0.22 320.9360352 0.18 324.3227539 0.17 327.4978333 0.03 328.2864380 0.23 330.2790833 0.09 330.9487915 0.05 333.0517273 0.09 334.2358704 0.02 337.3601990 58.12 338.1165161 0.06 339.1849976 0.11 350.1677246 0.10 356.9925842 0.12 364.4652710 0.13 370.6364136 0.22 375.3269043 0.12 377.5916443 0.10 385.4295349 0.07 406.0860291 0.06 408.3067017 0.23 413.3610840 0.14 415.2173157 0.03 417.0771179 3.79 417.6934204 0.11 419.4768066 0.03 420.3457336 0.15 434.3343811 0.07 435.4049072 0.45 436.9865112 0.11 441.6728821 0.11 442.8586121 0.11 446.4029236 0.09 447.2061462 0.19 449.4940491 0.22 450.4229126 0.18 451.7907410 0.16 460.2299500 100.00 460.9772644 0.62 468.7153625 0.43 477.5352478 0.42 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 697.1417 Annotation Heliquinomycin Peak:m/z Relative Intensity 202.9981995 0.01 210.9507446 0.02 231.1147156 0.16 231.8776550 0.09 241.0222015 0.03 242.2166443 0.02 243.0431671 0.11 245.0915070 0.03 247.2414856 0.03 259.2915039 0.16 269.0314941 0.11 270.9799805 0.15 272.3348999 0.04 287.1369324 0.61 291.0717773 0.10 297.2218018 0.12 300.9713745 0.02 302.1976929 0.07 315.1713562 4.83 316.1706543 0.71 327.8999634 0.02 330.0905762 14.49 331.0906982 2.43 332.0994263 0.01 341.0601196 0.01 342.0225220 0.03 343.1424561 0.54 345.1293335 100.00 346.1460571 13.93 346.7601929 0.02 351.1879272 0.82 352.2928467 0.22 356.3294067 0.05 357.4833984 0.03 369.2533569 0.03 371.1398926 0.05 382.1556396 0.05 385.2570801 0.12 386.5202026 0.06 387.1831055 0.51 387.9766846 0.06 397.2773438 0.57 397.9583740 0.01 399.0977173 0.05 403.1981201 0.18 404.2817383 0.06 411.1885986 0.20 412.0259399 0.02 415.1125488 0.21 416.3995972 0.03 423.3110962 0.14 426.9446411 0.89 428.0514526 0.20 431.3683472 0.06 441.2589111 1.42 442.3088989 0.41 446.0584106 0.02 459.1387329 5.86 460.1168213 0.80 461.1297607 0.02 461.8457031 0.03 477.0903320 0.02 485.3858643 0.20 489.3969116 0.03 503.1279907 74.99 504.2170410 15.01 521.0903320 22.53 522.1005249 4.77 522.7654419 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 679.3 Annotation Hv-NCC-1 Peak:m/z Relative Intensity 204.0538025 0.24 218.1585083 0.01 220.1297607 0.06 227.2590637 0.02 244.2872620 0.03 245.1702576 0.02 246.0482178 0.04 250.2971344 0.15 253.3254395 0.14 257.1096191 0.04 259.2243042 0.06 273.2373962 0.51 276.3164673 0.24 287.2071533 0.34 293.1378784 0.05 299.2109985 0.70 301.0969238 0.02 305.2503967 0.10 311.1734009 0.11 315.1852417 1.35 323.1633911 0.15 325.0645752 0.55 327.2352905 0.02 329.3195801 0.02 337.1809082 1.33 337.7860107 0.02 339.3292847 0.09 341.1399841 0.11 343.0806274 0.04 345.5370483 0.04 352.9774780 0.03 355.1530762 0.03 357.1703491 0.97 357.8137207 0.01 359.1411743 0.39 365.3010864 0.13 366.1089478 0.02 369.2511597 0.16 371.2522583 1.12 373.3261108 0.42 383.2653198 0.60 387.3187256 0.08 401.2221680 4.29 415.2250977 0.17 418.2361450 0.09 422.4957886 0.09 433.0432739 1.28 438.1490479 0.18 446.4039917 0.03 450.3201904 0.71 452.4852295 0.05 454.1674805 0.04 457.8139038 0.11 458.4373169 0.02 462.2686157 0.44 464.3280640 12.35 466.1403198 0.34 472.3933105 0.06 476.3327637 0.50 478.3283081 0.21 482.2910156 0.88 484.0374146 0.07 490.1909790 8.60 490.8363647 0.03 493.3760376 0.10 494.4265137 0.28 508.1377563 9.13 510.2360840 0.32 512.3474121 0.03 514.2469482 0.96 522.2141724 28.80 522.9423218 0.18 524.0841675 0.06 526.1776733 0.85 526.8057251 0.07 536.4440308 0.06 540.3128052 0.09 541.5292358 0.05 554.1298828 0.02 562.3214722 0.02 583.3359985 0.20 585.3284302 0.56 587.4545898 1.13 593.4878540 0.10 601.7449951 0.17 603.3491821 4.48 610.7894897 0.32 611.4132080 3.72 615.3156128 0.06 619.3434448 2.63 629.3046875 10.14 630.2683716 0.13 643.2178345 8.47 643.9334106 0.08 647.2954102 100.00 648.0077515 0.13 651.0953369 0.13 661.3059692 3.78 662.4993896 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1407.6031 Annotation Unknow Peak:m/z Relative Intensity 404.9057007 0.09 453.4340515 0.28 483.1384277 0.79 501.4425964 0.99 502.5590210 0.94 543.5362549 1.37 633.3739014 0.09 719.5362549 0.50 720.3162231 0.11 741.6741943 0.08 761.6694946 1.07 762.6034546 0.63 774.3415527 0.66 809.2585449 0.17 905.3150635 1.09 907.8769531 0.26 922.7353516 0.14 949.2712402 0.65 967.7086182 1.07 968.5323486 0.53 1039.5972900 2.39 1040.6728520 1.10 1057.5003660 1.88 1058.7248540 1.47 1081.2893070 0.37 1099.5161130 100.00 1100.5458980 34.01 1101.3033450 0.45 1102.5527340 0.13 1174.4538570 1.01 1195.6607670 0.77 1275.4689940 0.21 1276.4753420 1.28 1277.4719240 6.37 1286.4007570 0.17 1305.4366460 0.05 1318.6118160 0.27 1329.8005370 0.46 1345.4912110 0.54 1363.5355220 0.41 1389.6706540 1.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 403.14 Annotation (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] Peak:m/z Relative Intensity 137.0731506 0.35 141.1627502 0.06 152.2178192 0.08 157.0080261 0.13 160.7479248 0.36 161.9140930 0.20 163.0267944 0.12 167.2477722 0.19 179.0757446 1.17 181.0046997 0.06 184.1134338 0.12 196.1541748 0.17 201.0493927 0.06 205.2193298 0.49 208.2142334 0.29 209.1634521 0.04 223.2685699 1.01 227.3121490 0.55 229.9396973 0.12 235.1772766 0.33 239.8638611 0.31 241.0623474 1.20 246.9645081 0.11 259.1921082 0.38 273.0044861 0.07 280.9241638 0.22 286.3472900 0.07 288.6590881 0.27 291.3482971 0.11 298.9808350 0.16 305.2562256 0.11 305.9627991 0.19 307.2211304 0.77 308.7934570 0.09 318.9932556 0.21 323.2274780 2.60 327.1464233 0.12 339.2056274 0.17 340.4494934 0.13 341.3162842 0.53 343.1375122 1.28 344.1499329 4.66 345.1958008 0.39 354.2820435 0.07 357.2195129 0.90 358.2375793 0.43 359.1068115 0.87 361.3694458 0.13 367.2321472 100.00 368.1855469 0.05 369.4453125 0.11 371.0225525 0.06 373.4206848 0.46 384.2861938 1.01 385.3239746 1.79 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 235.16 Annotation Unknow Peak:m/z Relative Intensity 80.7592316 0.04 95.9347992 0.12 100.8731842 0.27 101.9064484 0.03 102.9962921 0.26 109.0656586 0.08 116.1767578 0.03 117.9428558 100.00 119.0846405 0.09 120.9699249 0.05 121.9657745 0.01 125.8672028 0.02 130.9613190 0.02 132.0055084 6.50 133.0249481 0.11 135.0922089 0.09 137.0875702 0.04 144.3542023 0.06 145.0446625 0.17 147.1256409 0.30 149.1556549 0.03 151.1119232 0.01 157.1552582 0.18 161.2501221 0.08 162.5274506 0.11 163.2219849 0.12 167.5142670 0.05 172.0741119 0.06 175.1897278 0.41 176.0576324 0.63 179.1172638 4.38 186.9978790 0.20 188.9770966 0.45 191.0229340 0.08 192.4129486 0.05 193.2814484 0.17 194.0430908 0.50 198.8602753 0.01 205.1345367 0.01 207.1329041 1.08 212.9895782 0.04 217.2600861 1.73 218.0527191 0.04 225.9382172 0.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 695.1246 Annotation Maclurin 3-C-(2''-p-hydroxybenzoyl-6''-galloyl-glucoside) Peak:m/z Relative Intensity 199.0721893 0.03 215.2145538 0.04 226.9308472 0.18 238.0249481 0.03 242.9444733 0.02 243.8280945 0.01 253.4807587 0.05 254.2307739 0.14 255.2527466 0.29 259.1924744 0.07 270.0758057 0.20 270.9711304 0.08 281.3395081 0.03 283.2094727 0.98 297.0843201 0.10 299.1353760 1.37 300.3495483 0.05 313.2919922 0.05 325.8972473 0.05 328.0690918 17.73 329.0946045 0.13 341.1997070 0.21 343.1206055 100.00 350.9963379 0.76 355.1667480 0.05 368.9135132 0.10 380.3573608 0.02 383.0838623 0.03 385.0733643 0.79 393.1536865 0.03 395.1252441 0.76 397.1903687 0.14 401.1151733 0.08 409.2289429 0.50 411.3784790 0.04 413.1201782 0.30 421.3446045 0.17 423.2003174 0.04 424.9154053 1.11 439.2957153 1.27 455.2031860 0.05 457.0878296 4.70 459.0444336 0.04 465.1813354 0.11 483.0427856 0.39 501.0965576 56.75 501.9261475 0.02 519.1350708 18.25 630.9777222 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 597.19 Annotation Unknow Peak:m/z Relative Intensity 192.3582458 0.03 226.8442688 0.09 229.3462524 0.11 243.1753845 0.07 249.4029999 0.14 254.2115173 0.04 259.3029175 0.33 266.9586182 0.11 281.1382141 0.16 285.2953491 0.23 286.0364380 0.09 287.2902222 0.17 289.0485840 0.30 291.1250000 0.12 292.9486694 0.21 299.4525146 0.24 301.1779175 0.27 305.8813171 0.05 309.4814453 0.04 311.0901184 0.19 313.3215332 0.24 314.1887207 0.07 314.9990540 0.18 319.2880249 0.11 323.0953979 0.11 325.3309937 0.05 329.2313232 0.94 335.2709351 0.07 341.1662598 0.05 341.9630127 0.05 343.1630859 0.04 347.2583618 0.78 349.2524414 0.24 352.2969971 0.11 357.4406128 0.08 358.4992676 0.25 359.2233276 0.48 361.4491577 0.38 371.3507690 1.80 373.0614014 0.27 375.3218994 0.09 383.3543091 0.07 385.2012329 0.14 388.9782715 0.80 391.1582642 0.10 399.1689453 0.17 403.2702637 4.01 405.1096191 0.07 406.5493774 0.09 409.6408081 0.08 415.5534058 0.12 420.2713013 0.15 421.3706055 2.17 430.4340820 0.04 431.4539795 0.11 435.1214600 0.35 443.6238403 0.17 449.4089966 0.11 457.5313721 0.17 458.2575684 0.17 459.3084106 0.05 461.0258789 0.10 463.3834839 0.27 468.5698242 0.10 471.3108521 0.08 473.1014404 0.15 475.2656250 1.69 476.4403687 0.51 477.3118896 0.09 478.1896362 0.20 482.5684814 0.06 489.2671509 0.27 491.5215454 0.05 493.5498657 0.17 495.4274292 0.06 496.4348755 0.17 497.4447632 0.17 499.3102417 0.08 501.1008301 0.12 505.5339966 0.18 506.1796265 0.11 507.3074341 1.02 509.2959595 1.03 510.4109497 0.06 513.0374756 0.05 517.3645630 2.52 519.3397827 1.92 520.5993042 0.15 521.2859497 0.44 523.5538940 0.06 525.2441406 0.20 530.3460693 0.36 532.2869263 0.17 533.2835083 1.06 535.3870239 2.18 537.3514404 27.34 539.2050171 0.68 549.3581543 0.70 550.3657227 0.58 551.2605591 5.74 552.1957397 0.12 553.3802490 1.14 561.3301392 5.32 562.4313354 0.19 565.7727661 0.08 566.3901978 0.08 567.2418823 0.71 569.2984009 5.47 577.4978638 0.15 579.2611694 100.00 580.1232300 0.64 588.2959595 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 273 Annotation 6-Phospho-2-dehydro-D-gluconate Peak:m/z Relative Intensity 92.7477570 0.05 99.1018372 1.18 116.9104156 100.00 127.3385849 0.11 128.0340424 0.12 131.8882446 0.08 133.0142059 0.51 143.0849915 0.22 145.0747681 0.07 163.8531036 0.04 171.9634399 0.14 172.9274902 4.55 179.0653839 0.27 183.1619415 0.30 187.0515137 0.07 187.7830200 0.19 191.1645508 0.11 192.9781647 1.03 200.8944397 0.18 203.0051270 0.12 209.9878235 0.26 211.4475098 0.23 212.9932251 0.49 215.0460205 1.02 216.2036133 0.04 225.7824707 0.13 226.5945435 0.52 227.2768555 0.05 228.5652466 0.82 229.2680664 0.42 230.4751892 0.11 237.0772705 0.55 241.0755615 0.15 243.0628052 0.06 244.1861572 0.05 244.9971924 0.13 254.3972168 1.33 255.2509460 1.22 258.1671753 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 629.2614 Annotation Brassica napus non-fluorescent chlorophyll catabolite 3 Peak:m/z Relative Intensity 301.3212280 0.02 416.4861450 0.02 462.3724976 0.59 467.6121826 0.03 471.5696411 0.03 505.7750854 0.04 511.5094604 0.04 557.3853760 0.02 567.7045288 0.05 585.3497925 100.00 586.0209351 0.15 611.3204956 1.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 685.343 Annotation Unknow Peak:m/z Relative Intensity 197.8715668 0.09 200.1037445 0.05 211.0503235 0.02 213.2738953 0.04 255.2810516 0.06 267.2539978 0.08 314.1785278 0.02 318.0548706 0.03 323.3187256 0.99 324.1544800 0.37 343.4363403 0.07 344.8522339 0.03 346.4779053 0.09 347.4449463 0.05 360.1456299 0.04 361.4091797 0.14 362.3419800 0.06 399.3172607 0.08 403.1078491 0.04 405.2524414 0.10 417.5807495 0.06 435.8003540 0.04 455.2911987 0.06 468.3094482 0.14 492.5377197 0.06 493.7869873 0.12 495.7540283 0.07 499.9418335 0.14 502.5689087 0.15 504.1195068 0.05 505.3001099 0.10 506.5114746 0.13 519.1665039 0.05 523.5797729 0.40 524.3507690 0.19 527.2890625 0.03 538.2673340 0.10 549.2980347 0.15 563.5266724 0.20 564.4547729 0.12 565.5753174 0.16 593.3782349 0.04 597.0747681 0.02 599.3065186 0.06 609.4346313 0.11 627.1982422 0.04 637.1624146 0.10 639.3328247 100.00 640.3905640 1.98 641.5695190 0.19 642.3651123 0.25 649.4901733 0.05 653.5103149 0.07 655.4694824 0.24 658.7644043 0.03 662.9469604 0.05 665.5401001 0.06 666.3448486 0.04 667.5403442 0.37 668.4658813 0.02 669.4318848 0.03 671.1423950 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 595.2601 Annotation Unknow Peak:m/z Relative Intensity 193.9475708 0.06 248.9262543 0.06 271.1396484 0.14 284.3400269 0.16 301.1387024 0.05 338.2470093 0.13 343.1427002 0.08 354.1990356 0.25 359.3763428 0.40 374.9869385 0.07 385.4886475 0.23 387.4100952 0.06 389.4586182 0.17 397.2445679 0.36 413.7193604 0.06 414.6348267 0.09 415.2875366 0.37 418.4389648 0.07 419.4105225 0.55 433.2419434 1.92 448.2526855 0.23 449.2465820 0.24 462.9233398 0.14 469.7782593 0.33 496.3348999 0.21 505.3662720 0.06 507.5016479 0.40 511.3252563 0.10 517.1455688 0.05 519.2202759 0.10 521.2426147 0.30 524.2733765 0.06 533.2738647 0.13 544.7243042 0.20 549.3151245 100.00 549.9315796 0.37 551.4147339 1.07 557.4235229 0.08 559.6139526 0.07 561.2761841 0.09 565.3889771 0.33 575.3453979 0.19 577.2948608 0.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 608.2396 Annotation Unknow Peak:m/z Relative Intensity 175.0968933 0.01 233.1424103 0.14 353.1575928 0.59 354.1455688 0.03 355.3132935 0.01 392.8272095 0.03 402.3915405 0.05 404.3216553 0.02 418.4617920 1.24 426.1188965 0.11 440.5330811 0.04 447.2564087 0.03 466.7801514 0.02 469.8586426 0.01 482.4438477 0.02 483.0619507 0.20 484.2860107 0.03 491.4579468 0.43 495.9127197 0.05 505.5683594 0.20 512.1853027 0.78 512.8576660 0.66 520.4779663 0.01 525.5134888 0.11 533.2305298 0.61 534.3569946 0.04 535.4772949 0.05 542.4774780 0.14 544.5832520 0.06 546.2456665 1.22 546.9210815 0.50 551.5908813 0.08 554.2840576 0.64 555.2222290 0.60 555.8844604 0.15 557.3064575 0.03 557.9206543 0.02 563.6268311 1.89 564.5394897 16.63 565.4569092 0.19 567.3240356 0.13 568.4405518 0.01 569.3516235 0.09 571.8118896 0.03 573.2207642 0.05 585.4139404 100.00 586.3773193 0.50 587.2329712 0.21 588.1375122 0.03 589.6736450 0.03 590.6708374 0.02 591.2916870 0.04 610.2822876 0.05 670.3813477 0.02 687.3531494 0.02 732.1181030 0.11 772.5570679 0.04 773.3021240 0.64 774.3150024 0.40 837.2385254 0.03 838.3818970 0.15 866.8856812 0.02 874.7673340 0.05 879.4948120 0.24 880.2911987 0.24 924.1110229 0.02 925.5540161 0.02 983.4565430 0.09 984.5432739 0.02 1011.6464840 0.01 1012.3106080 0.03 1025.2126460 0.23 1026.1557620 0.35 1026.8697510 0.01 1067.3889160 0.04 1068.5594480 0.09 1111.6958010 0.27 1112.5400390 0.05 1127.7894290 0.07 1128.6790770 0.02 1171.4133300 5.69 1172.4394530 3.74 1173.4522710 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 480.3074 Annotation PC(15:1(9Z)/0:0) Peak:m/z Relative Intensity 142.7806091 0.03 151.2380066 0.02 180.1284485 0.10 181.2005920 0.13 189.0437622 0.03 193.2123718 0.09 193.9268188 0.11 195.1637268 0.03 198.0407104 0.26 200.1542664 0.06 201.1841431 0.03 204.0235596 0.06 209.2552795 0.08 215.8768616 0.16 216.8031921 0.06 222.9022217 0.02 226.6341553 0.05 228.1627045 0.17 229.4176025 0.25 230.5715485 0.13 237.1173553 0.04 239.5738678 0.32 240.2474518 0.03 242.3472290 0.13 249.2674255 0.07 255.2702332 0.06 256.2514648 0.09 256.8951111 0.10 257.5220947 0.09 279.0890503 0.04 281.3305054 0.22 282.3768616 0.23 283.3007812 0.15 284.4960632 0.26 296.4385681 0.03 301.2072144 0.10 303.5640869 0.03 307.2651978 0.03 308.4977417 0.46 310.1502991 0.11 322.1115112 0.07 326.4840698 0.05 329.0585327 0.10 337.7093811 0.08 339.4084473 100.00 341.2717285 0.05 366.7148743 0.02 372.4833374 0.04 382.4705200 0.06 389.6833191 0.05 392.3681335 0.14 397.5205383 0.12 401.0665588 0.12 403.2108154 0.07 406.5830994 0.07 407.5263977 0.19 409.3526917 0.08 417.4604797 0.04 419.2137146 0.30 435.0382996 0.25 436.6211243 0.10 444.2791443 0.09 447.7553406 0.16 452.4217529 0.35 456.8828430 0.06 461.6343079 1.58 462.3188782 3.79 463.2473450 0.46 471.4267273 0.47 479.7516174 0.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 565.0471 Annotation Uridine-5'-diphospho-glucose disodium salt Peak:m/z Relative Intensity 210.8420258 0.46 241.0386658 2.62 279.9711914 0.92 321.1168823 6.23 323.0403442 100.00 323.6699219 0.27 341.0672607 1.19 344.2445068 0.94 350.3026733 2.29 354.9495239 1.39 385.1682129 4.86 386.3336792 2.01 388.0213013 2.48 402.9459839 2.22 407.2124023 0.94 427.1728516 0.87 436.9741821 0.34 448.0157471 2.22 460.9430542 0.53 467.2288208 3.32 468.1568604 0.36 487.0475464 1.05 497.4822998 0.57 502.9578247 1.76 516.486145 2.89 517.8894653 2.73 519.071167 1.30 527.12677 0.53 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 655.2748 Annotation Coproporphyrin II Peak:m/z Relative Intensity 205.3963623 0.08 211.2178040 0.04 217.2657776 0.01 225.1498718 0.02 227.2139587 0.04 236.2994843 0.03 237.0624847 0.05 243.0844269 0.07 255.4428558 0.03 261.3199463 0.03 266.4388123 0.06 267.0712280 0.01 269.2011108 0.03 273.2134094 0.07 283.2935791 0.04 302.1176453 0.07 303.5168457 0.01 309.3566284 0.03 320.4338989 0.01 325.3189697 0.09 327.3690796 0.05 329.2623291 0.02 331.3417969 0.02 342.1065674 0.02 343.4097290 0.02 353.2188721 0.03 358.1781006 0.02 361.3662109 0.02 363.6469116 0.02 365.3065796 0.07 369.1986084 0.05 371.0870361 0.05 372.2208252 0.02 373.6887207 0.01 375.2799072 0.09 376.2893066 0.05 377.1151123 0.02 382.0894165 0.02 383.3579712 0.06 384.9791870 0.02 387.4690552 0.02 389.3151245 0.03 390.4448242 0.03 391.4308472 0.04 399.0756836 0.02 401.3043823 0.05 403.0883789 0.16 404.7888184 0.08 405.6558228 0.02 411.6069336 0.04 412.6844482 0.18 413.5112915 0.04 423.4389038 0.05 424.3184204 0.02 425.3893433 0.05 427.1173706 0.04 429.5646973 0.03 430.6759644 0.02 431.4500732 0.06 434.6320190 0.06 439.5287476 0.06 440.4502563 0.27 443.3337402 0.05 444.2914429 0.05 445.4031372 0.02 447.5134277 0.06 453.4408569 0.02 456.4325562 0.08 457.4385376 0.03 458.6342163 0.07 470.6560059 0.04 474.1505737 0.02 475.1282349 0.05 477.6505127 0.01 483.3676147 0.04 489.3252563 0.02 491.9706421 0.19 494.4951782 0.02 497.3204346 0.15 500.3909912 0.03 505.4924316 0.04 509.2362061 0.03 510.9317627 0.04 513.2719727 0.02 518.3914795 0.07 521.6835327 0.05 523.4229126 0.01 524.3696899 0.10 535.3473511 0.06 536.2186890 0.02 537.5216675 0.04 542.1732788 0.09 543.6094360 0.01 544.5018921 0.03 546.9045410 0.03 551.8958130 0.03 553.4252930 0.13 558.3796997 0.05 559.2842407 0.04 563.1487427 0.24 565.7971802 0.03 567.2382202 0.10 569.4885254 0.07 574.9249268 0.03 577.2542114 0.03 578.5671997 0.08 579.6307373 0.17 581.3613892 0.12 583.5114746 0.06 585.4065552 0.91 586.0936279 0.02 586.9416504 0.12 591.0344849 0.02 595.3779907 100.00 596.0503540 0.50 597.4592896 0.51 598.2271118 0.09 600.7676392 0.15 601.9317017 0.01 605.2047119 0.10 607.5371704 0.02 608.1847534 0.07 609.6315918 0.06 611.3278198 0.48 613.3286743 41.81 613.9399414 0.30 618.5886230 0.12 619.4876099 0.06 622.3657837 4.40 623.2684937 1.43 627.2113647 2.54 627.9234619 0.01 631.2318115 0.02 636.6024780 1.42 637.3587646 1.08 638.2761230 0.08 639.3478394 0.10 655.9723511 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 457.2942 Annotation Methoxybifurcarenone Peak:m/z Relative Intensity 130.9982147 0.12 132.8546600 0.36 135.0120087 0.42 137.1517334 0.08 139.1747131 0.43 140.8018494 0.17 147.2283020 0.47 149.0571899 0.70 151.0559998 0.33 154.8322754 0.44 157.2010193 0.53 158.0653687 0.07 159.0117645 0.96 161.2099915 0.53 163.1098785 0.30 165.3447113 0.52 167.1055603 0.93 171.1123352 0.86 173.1294861 1.51 177.1473236 0.74 181.0168152 0.12 183.1176453 0.40 185.0743103 1.19 187.1957703 0.56 191.1536560 2.40 195.0852203 0.57 196.9767151 0.54 199.1921692 1.42 201.1761475 1.00 202.9672394 0.30 207.1204529 0.97 208.9568024 1.22 211.0447693 0.43 213.2036133 2.44 214.2987518 0.11 215.2258301 0.30 216.9936523 0.20 221.1776428 0.20 223.2047882 0.64 225.3728027 0.06 227.2165680 1.17 229.2262421 1.13 231.0456390 4.38 233.4048157 0.38 235.3501129 0.39 237.3187103 3.49 239.3080750 1.34 241.0693207 1.38 243.3701477 0.42 247.4035950 0.80 249.2445679 5.08 251.1560974 0.20 252.9975281 0.15 254.3674316 0.27 255.1727905 2.62 257.1481018 0.23 259.1359558 0.10 263.3677673 0.46 265.1991272 10.82 266.1557922 0.21 267.2951050 1.32 269.2333679 1.04 271.2916870 0.22 273.5538025 0.11 275.3062439 0.41 277.2315979 1.34 279.2748108 1.24 281.2814941 5.13 283.2953491 8.16 285.2751465 0.22 287.0828857 0.21 288.3659058 0.31 289.1622620 0.52 291.1637573 2.23 293.2889404 5.89 295.3469849 5.95 297.2285767 0.64 299.2676392 7.46 301.2758484 31.51 302.3408508 1.48 303.2814941 3.53 305.1705017 1.35 307.1822510 1.44 309.4657593 1.00 310.4637756 0.88 311.1981201 1.04 313.3422852 8.70 315.2080688 1.06 319.2984314 3.09 321.1122742 1.64 324.4225159 0.44 325.6832886 1.42 327.2929688 2.44 329.3034668 11.03 331.2781372 15.52 333.0711670 0.39 335.2446899 1.24 337.3749695 4.14 339.0606079 2.29 341.2779846 0.89 343.3662109 5.98 345.2622681 1.22 347.2543640 1.79 351.3084717 0.53 353.2947388 7.24 355.2586670 3.58 357.2668457 2.83 359.0762024 0.90 361.3573303 0.91 363.2659912 9.81 365.3261108 0.87 367.6337585 0.33 369.3319092 0.55 371.5514221 0.38 373.2704163 9.70 375.3578491 1.78 377.2823181 0.43 379.3299561 0.88 381.3208923 11.48 383.1047058 0.09 385.3837891 1.82 391.6476440 0.95 393.2467346 3.50 394.0678406 0.47 395.3147583 0.20 397.8076172 0.31 399.3581238 33.29 403.3034363 13.02 409.1300659 1.19 411.1595764 0.35 419.5138550 0.36 421.2923584 41.08 421.9512939 0.56 429.6653748 0.42 430.7621155 0.09 435.1293030 0.66 437.5630798 0.38 439.3763733 100.00 440.4778137 0.33 442.4500427 0.91 448.8070984 0.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 681.14 Annotation Unknow Peak:m/z Relative Intensity 189.9393158 0.03 191.1139832 0.03 203.0055542 0.02 204.2047729 0.03 205.0705261 0.05 211.0232544 0.01 212.0615234 0.13 213.1579590 0.13 214.2030945 0.02 215.0945435 0.20 217.0727539 0.03 218.8419037 0.02 227.0358582 0.06 228.1660004 0.11 229.0752563 0.28 231.0708923 0.06 232.1422424 0.33 233.1417542 0.06 234.8239746 0.01 238.2215271 0.02 239.1124268 0.18 240.1301575 0.13 241.0740967 0.12 242.3750458 0.06 243.1922913 0.28 245.2340546 0.05 247.0395813 0.02 255.2867737 0.18 255.9646912 0.05 257.0337830 0.44 260.0895386 2.87 260.9710693 0.18 267.1275940 0.10 268.1951904 0.05 270.2830200 0.02 271.1953125 0.74 273.1441650 0.41 285.1754150 0.13 286.1865845 0.24 289.1935425 0.27 291.1550598 0.53 297.1175842 0.01 299.1277161 0.98 306.9154663 0.03 308.5867920 0.10 314.0969849 14.59 314.7728271 0.05 317.1427002 0.16 329.1017456 100.00 335.0044556 0.80 335.6221313 0.02 351.3347778 0.01 353.1654663 4.80 359.2385254 0.07 663.4550781 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 839.3356 Annotation Unknow Peak:m/z Relative Intensity 345.2048340 0.04 517.3136597 0.13 518.4439087 0.05 595.5623779 0.04 607.5174561 0.11 624.7328491 0.04 627.5774536 0.11 638.2350464 0.20 639.5231323 0.04 650.5162964 1.07 651.5089722 0.59 653.4679565 0.07 670.6816406 0.05 671.6398315 0.07 678.2555542 0.05 682.4218140 5.64 683.4531250 1.12 703.4489136 0.58 704.4996948 0.25 721.8289795 0.09 735.5899048 0.03 744.3219604 0.14 745.3678589 0.06 747.3989868 22.02 748.4129028 10.31 749.0181274 0.14 761.6362915 0.12 763.4581299 0.66 764.5133667 0.19 768.3796997 0.07 771.6046753 0.12 772.7824707 0.05 779.3497925 68.80 780.4114990 26.92 789.3754883 12.86 790.4937134 5.52 795.4139404 0.16 804.8146362 0.02 807.3904419 100.00 808.3887329 43.70 809.0272827 0.25 821.3562012 23.47 822.3773804 10.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 290.85 Annotation gamma-Pentachlorocyclohexene Peak:m/z Relative Intensity 122.8509598 2.10 158.9116669 0.03 205.0304565 0.02 206.7971191 100.00 223.1608276 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 265.0149 Annotation Unknow Peak:m/z Relative Intensity 108.5387115 0.02 157.1479187 0.01 157.9355621 0.01 161.3421173 0.04 206.0117493 0.03 210.6419220 0.02 216.1732330 0.04 220.9035492 0.16 222.0349884 0.02 223.9082489 100.00 224.5090637 0.19 238.9469604 0.03 241.8262787 15.17 243.2150116 0.01 244.0359955 0.02 247.1630707 0.02 264.9881897 0.11 275.0451050 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 467.16 Annotation Unknow Peak:m/z Relative Intensity 144.7701111 0.35 168.3292999 0.59 169.0174103 0.82 172.9265900 1.04 199.0592346 1.13 212.9626617 0.54 225.0397339 1.72 241.0641632 28.05 243.1869812 0.25 257.0035095 100.00 257.9593201 3.11 258.8525085 6.90 259.6360779 0.81 270.9859619 0.55 299.0771790 2.96 301.1959839 1.07 302.8435364 0.22 303.9714050 1.02 305.1130066 2.96 327.2201538 0.22 329.2668457 0.77 341.3568115 0.51 343.1563416 1.17 349.2634277 0.79 353.2762451 0.72 355.0249329 1.03 365.2864380 0.83 367.2178955 5.41 368.1004944 2.54 379.1804199 2.88 380.4173279 1.88 381.2992859 2.14 383.2778625 17.54 384.1930847 3.72 395.4205322 1.01 396.9992676 6.68 397.6803894 0.31 405.1062317 0.26 407.1868591 2.17 409.2531738 22.99 409.8793030 0.69 411.2452087 8.52 412.3092957 0.40 418.7714539 0.35 421.2347717 1.11 423.1062317 15.57 423.7234802 1.98 424.5574951 0.31 425.6087646 0.46 427.3737183 21.90 428.3831482 4.82 435.1658936 0.55 436.7214050 0.53 437.4142456 4.14 438.3830261 0.22 439.3147278 1.95 449.1314392 10.18 450.1690979 1.30 467.2959595 1.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 458.77 Annotation Unknow Peak:m/z Relative Intensity 206.7913361 8.49 212.7835999 0.10 290.7491455 100.00 307.1855774 0.05 327.9791870 0.06 338.8878479 0.54 346.0037231 0.04 348.0916138 0.18 349.0695190 0.04 373.1120911 0.06 374.0896912 3.52 374.7463074 24.07 398.8421631 2.13 414.8450012 0.08 440.1958313 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 675.27 Annotation Brassica napus non-fluorescent chlorophyll catabolite 3 Peak:m/z Relative Intensity 191.0115967 1.69 203.1255035 3.06 215.1563263 1.60 233.0276031 1.22 259.0339355 2.39 277.1383667 24.39 313.1162109 0.17 319.3056641 0.20 327.3115234 1.17 336.9870605 64.39 337.6067505 0.48 398.6701660 0.11 440.7904053 0.07 442.2996826 2.00 443.2482910 0.48 474.3405151 2.38 475.3868408 0.53 476.3095093 0.53 486.3182983 0.53 487.2107544 1.12 498.3947754 0.25 501.1967773 0.41 518.4244385 1.46 519.3698120 0.84 520.2782593 1.08 529.5941772 0.06 537.4205933 0.43 539.3041992 2.54 555.3614502 0.06 557.3898315 0.26 571.3840942 3.95 575.2366333 0.08 581.4452515 1.91 583.4163818 4.15 587.3507080 0.20 599.4464111 11.29 602.4349365 0.16 603.1325073 0.10 613.3461914 1.67 615.2587891 11.30 615.9231567 0.06 625.3528442 2.60 630.2097778 0.15 631.2807617 8.01 631.9425659 0.15 643.3006592 100.00 643.9215088 0.34 657.2440186 4.02 659.0120239 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1094.8694 Annotation Unknow Peak:m/z Relative Intensity 307.4105835 0.15 327.5888062 0.08 351.3094482 0.03 353.3203735 0.06 363.2918396 0.13 369.1593323 0.25 373.1796570 0.08 383.1465454 0.05 385.5357361 0.05 387.8712158 0.16 389.5246582 0.36 391.2201538 0.41 396.8378601 0.23 401.0411682 0.11 411.4014893 0.09 412.5645752 0.48 419.1198730 0.31 419.9726562 0.48 423.9199219 0.19 425.1344910 0.18 426.7512512 0.34 432.3754578 0.15 433.6705933 0.29 436.3742065 0.14 441.5142822 0.29 445.3934021 0.34 446.0186768 0.04 455.2705078 0.28 456.1014404 0.36 459.8279724 0.23 466.4721680 0.11 468.8046265 0.31 469.9572754 0.16 472.4093323 0.22 475.9497681 0.14 480.4102783 0.15 482.0263977 1.06 482.9367981 0.74 484.2051392 0.17 491.1355286 3.69 492.3624878 0.89 498.5980835 0.19 500.8440552 0.10 501.4988098 0.14 505.4205322 1.02 506.0347290 0.04 509.2571411 0.15 518.4491577 0.51 520.9080811 0.26 526.5304565 0.66 531.6246338 0.58 532.2758179 0.09 538.0399170 0.30 540.3607788 3.26 541.0777588 1.08 543.1289062 0.16 548.3311768 0.05 548.9459229 0.78 553.5692749 0.12 564.4190674 0.25 565.2791748 0.04 572.5703125 0.11 580.8762207 0.16 582.5463867 0.03 588.6497803 0.09 598.1331787 11.00 599.0784912 2.00 600.0253906 0.43 600.7193604 0.10 608.6314697 0.03 611.6088867 0.14 616.1024780 0.16 627.4643555 0.14 636.2136230 0.11 641.5211792 0.38 644.5974121 0.10 648.5157471 0.50 650.6266479 0.05 653.6680908 0.21 655.4317627 0.16 656.4371948 0.53 675.3171387 0.16 676.9470215 0.53 678.0790405 0.17 678.8666992 0.06 682.6784058 0.47 683.6646118 0.18 684.6511230 0.15 692.2769775 0.48 696.8997803 0.27 700.4346313 0.06 705.7626953 0.15 707.5643311 0.10 708.6351318 0.78 710.7630615 0.39 711.6356201 0.49 714.2009277 0.30 715.3269653 0.94 716.1129150 0.30 719.4721680 0.15 722.7225342 0.19 724.8579102 0.06 727.9212036 0.15 732.9124756 0.27 733.6857300 0.17 737.7390137 0.19 738.4797363 0.36 739.5882568 0.08 740.4136963 0.62 741.4306641 1.77 742.0729370 0.19 743.6430664 0.16 748.2966919 0.09 749.9879150 0.49 750.6417236 0.37 754.5628662 0.08 755.8410034 1.48 756.7620850 0.69 758.8505249 0.12 763.6704102 0.41 766.8355713 0.19 770.6576538 0.20 777.6838379 0.04 784.6416016 0.14 790.9677124 0.41 791.7218628 0.12 796.5123291 0.16 798.3377686 4.24 799.2200317 3.25 800.2291260 0.76 806.5760498 0.30 808.9946289 0.52 810.9166260 0.21 811.9012451 0.44 813.4943848 0.45 814.7075195 0.11 818.7569580 0.28 821.5539551 0.08 822.6541748 0.22 825.3471680 0.11 829.8211670 0.76 830.6820068 0.23 834.6552734 0.10 836.4235840 0.23 837.1593018 0.20 838.3779297 0.15 844.4210205 0.39 845.6848145 0.18 849.3554688 0.34 852.6966553 0.38 853.7513428 0.13 855.6279297 0.16 856.5731201 0.09 858.8756104 0.19 862.5467529 0.13 864.4326172 0.13 866.9099121 0.24 867.8277588 1.10 868.8688965 0.42 871.8184814 0.06 875.6864014 0.04 883.2020264 0.28 883.8105469 1.13 884.8265381 0.38 885.4576416 0.40 891.8243408 0.27 892.5808105 0.05 894.8747559 0.04 900.0137939 0.07 901.1677246 0.22 902.7730713 0.81 903.8221436 0.14 908.6618652 0.48 909.9095459 0.52 924.7841797 0.09 937.7081299 0.13 939.6547852 0.12 948.6019287 0.11 950.8747559 0.16 952.4520264 0.16 954.0146484 0.05 957.2386475 0.36 958.3393555 0.96 960.2319336 0.12 962.6979980 0.58 963.6726074 0.62 964.8663330 0.28 966.4311523 0.47 967.3911133 0.48 968.7025146 0.05 980.8651123 1.52 981.7558594 3.03 982.8476562 0.30 983.5666504 0.03 991.1621094 0.29 998.6495361 0.24 1008.3254390 0.81 1009.9230960 0.30 1010.8127440 0.28 1012.3114010 0.74 1014.0327150 1.12 1014.7979740 0.71 1017.2608640 0.13 1020.2661130 0.23 1022.4029540 1.96 1023.2009280 0.18 1024.2846680 0.17 1026.8629150 0.39 1027.8775630 0.64 1028.7136230 0.39 1032.5310060 1.05 1033.8388670 0.49 1035.1137700 0.36 1036.9362790 1.00 1038.0134280 0.58 1038.8382570 0.33 1039.4395750 0.35 1040.9943850 0.68 1043.7906490 0.33 1045.0744630 0.06 1046.0825200 0.22 1047.2492680 0.52 1047.9548340 0.34 1049.7119140 3.03 1051.7031250 0.70 1052.6180420 0.74 1053.4755860 0.67 1056.1958010 1.64 1057.4533690 0.54 1058.2008060 1.08 1059.1735840 0.36 1060.1723630 1.42 1060.8468020 0.39 1062.6538090 0.21 1063.6947020 2.24 1064.9233400 0.14 1066.0161130 4.38 1067.2099610 4.38 1068.1945800 0.62 1069.0380860 2.20 1069.8314210 2.87 1070.8173830 0.23 1072.8389890 6.77 1073.6738280 1.19 1074.8345950 0.73 1075.9951170 3.53 1076.9012450 2.11 1077.5639650 0.14 1078.4003910 1.25 1079.5098880 1.81 1080.9637450 1.41 1081.7871090 1.14 1082.9892580 0.74 1083.9318850 1.56 1085.0375980 0.73 1086.4499510 0.26 1087.2672120 0.28 1088.9892580 0.10 1098.3718260 0.04 1105.9350590 0.19 1116.0136720 0.04 1120.3746340 0.33 1121.2275390 0.22 1123.1170650 0.29 1127.7797850 0.07 1137.3278810 0.79 1140.2441410 0.50 1142.3566890 0.89 1143.4782710 0.54 1147.9315190 0.46 1153.7736820 0.22 1162.0889890 0.32 1170.1853030 0.60 1181.9906010 0.92 1187.4952390 0.36 1190.0938720 0.70 1194.8923340 0.05 1195.7785640 0.45 1206.4011230 0.41 1207.4947510 0.52 1208.9794920 0.77 1214.9782710 0.08 1216.2528080 1.27 1216.8962400 1.36 1217.7543950 0.30 1219.0129390 0.04 1221.6610110 0.06 1225.3808590 0.26 1227.8417970 0.63 1229.1574710 0.46 1231.4355470 0.89 1235.6676030 0.19 1241.0056150 0.47 1241.9056400 1.34 1243.0002440 0.38 1244.3287350 1.08 1247.9724120 2.16 1248.6224370 1.53 1249.4938960 0.33 1250.2867430 0.31 1252.2497560 0.39 1254.0312500 1.23 1257.4821780 0.46 1258.5019530 0.53 1259.1829830 0.35 1261.6311040 0.32 1262.7321780 0.57 1267.4104000 0.74 1268.5642090 4.10 1269.5043950 1.57 1271.9295650 0.25 1273.2246090 3.72 1274.4566650 0.44 1277.7022710 0.27 1278.5295410 0.86 1279.4498290 1.92 1280.7293700 3.33 1281.6064450 1.04 1282.3269040 0.43 1283.4702150 1.07 1284.6994630 4.62 1286.5953370 1.95 1288.1230470 1.86 1288.8005370 0.63 1290.7822270 1.93 1292.1124270 0.59 1293.6385500 7.20 1294.5372310 3.43 1295.2685550 2.12 1296.0361330 0.61 1297.9074710 2.83 1300.3737790 1.36 1301.0053710 1.22 1303.2835690 0.45 1304.3131100 0.59 1305.3332520 8.95 1307.5751950 0.92 1308.7316890 3.22 1309.8364260 0.58 1310.9316410 0.13 1311.9812010 0.93 1313.6027830 0.88 1314.2413330 0.17 1315.7829590 0.79 1316.4963380 0.93 1317.4346920 0.26 1318.8596190 0.30 1320.7833250 0.25 1321.7287600 0.55 1322.8242190 6.16 1323.6879880 0.24 1324.4338380 0.17 1325.1927490 0.28 1326.2420650 0.69 1327.0510250 1.90 1327.6796880 0.06 1329.0212400 0.52 1329.8270260 0.74 1332.1456300 3.19 1333.3590090 1.95 1334.0941160 0.04 1334.8116460 0.68 1336.3096920 17.62 1337.2862550 1.37 1338.1751710 0.96 1339.1953120 0.29 1340.1533200 1.02 1340.7894290 100.00 1342.7225340 0.32 1345.2792970 2.23 1346.3498540 1.22 1347.3468020 0.74 1348.5266110 0.90 1350.3548580 0.60 1352.1668700 0.30 1357.1004640 0.14 1358.6743160 0.24 1361.2686770 0.38 1363.7579350 0.08 1366.0849610 0.39 1370.2652590 0.48 1373.6044920 0.46 1375.3063960 0.46 1378.6865230 0.30 1380.2044680 0.29 1380.9434810 0.15 1381.8636470 0.38 1383.2663570 0.34 1387.9106450 0.25 1389.3886720 0.75 1390.7059330 0.27 1393.1944580 0.32 1398.7094730 0.39 1402.1088870 1.00 1406.0479740 0.97 1407.5830080 0.49 1408.3585210 0.30 1409.5177000 0.77 1411.0235600 0.86 1412.9779050 1.16 1413.8389890 0.11 1414.5634770 0.53 1415.5701900 0.12 1416.5875240 0.18 1417.7353520 0.88 1418.4232180 0.72 1420.0457760 0.38 1421.1749270 8.90 1422.1033940 5.34 1422.9810790 0.81 1426.6207280 2.96 1427.3486330 61.61 1428.3302000 22.38 1430.8353270 0.59 1432.7351070 1.06 1433.5173340 0.91 1434.3041990 0.82 1435.6158450 0.29 1436.3660890 1.16 1437.3260500 0.61 1437.9447020 0.09 1438.9281010 0.12 1441.7883300 0.15 1444.8198240 0.49 1446.0509030 0.28 1447.9134520 0.69 1448.9460450 1.36 1449.6745610 0.77 1450.3734130 0.11 1451.3367920 1.64 1454.5013430 4.28 1455.2227780 1.45 1456.5056150 1.58 1457.5473630 0.86 1460.4377440 24.56 1461.5130620 2.66 1462.3325200 0.38 1464.7304690 0.35 1465.6499020 0.62 1466.3939210 0.69 1467.3599850 0.23 1474.7435300 0.26 1479.9420170 0.95 1480.8883060 0.78 1482.0101320 0.18 1482.9053960 0.19 1483.7191160 0.13 1484.9031980 0.44 1486.1364750 0.46 1489.0072020 0.29 1492.8642580 0.15 1497.8472900 0.07 1499.4096680 0.20 1506.8367920 0.40 1508.6717530 0.35 1509.4378660 0.45 1512.7551270 0.13 1520.5566410 0.49 1521.6494140 0.04 1528.4774170 0.61 1529.2271730 0.59 1530.1838380 0.53 1531.7984620 0.17 1535.4678960 0.63 1536.7232670 0.42 1555.0404050 0.38 1559.0820310 0.19 1561.0041500 0.28 1562.0653080 0.37 1568.6330570 0.36 1571.0335690 0.21 1574.6607670 0.29 1575.8385010 0.31 1576.7171630 0.15 1579.9227290 0.10 1584.1680910 0.51 1585.4066160 0.20 1591.1927490 0.17 1593.1372070 0.57 1594.2550050 0.52 1602.7948000 0.22 1603.8026120 0.23 1609.1553960 0.24 1616.8187260 0.13 1617.5911870 0.17 1619.1693120 0.17 1621.0250240 0.53 1624.6827390 0.16 1626.8453370 0.19 1627.8969730 0.60 1629.1019290 0.36 1640.3455810 0.15 1649.2827150 0.14 1650.3594970 0.07 1651.2814940 0.21 1652.4615480 0.49 1656.8975830 0.29 1658.1700440 2.12 1659.1483150 2.63 1664.7347410 0.27 1674.0076900 0.15 1676.1887210 0.28 1678.9493410 0.31 1681.1773680 0.20 1687.2181400 0.23 1689.4141850 0.10 1694.1729740 0.06 1699.2010500 0.24 1699.8360600 0.26 1713.7565920 0.77 1714.4396970 0.16 1717.7147220 0.25 1720.5628660 0.19 1723.1071780 1.63 1724.1793210 0.39 1736.2493900 0.47 1755.2623290 0.66 1757.7308350 0.31 1762.9991460 0.34 1764.0096440 0.21 1764.9543460 0.23 1766.9680180 0.36 1771.2297360 0.73 1772.7398680 1.86 1774.1221920 0.24 1789.7561040 0.37 1827.0989990 0.27 1827.7076420 0.43 1831.4210210 0.22 1834.9245610 0.20 1836.1761470 1.59 1836.9603270 0.77 1837.8070070 0.40 1853.6184080 0.50 1856.5544430 0.56 1857.9123540 0.22 1861.6473390 0.29 1862.6043700 1.54 1863.3728030 0.13 1865.4617920 0.09 1871.6700440 2.53 1872.8389890 1.24 1905.7678220 0.23 1911.4136960 0.11 1918.3669430 0.24 1923.5681150 0.11 1932.2459720 0.54 1932.8970950 0.54 1939.9626460 1.61 1940.7918700 1.17 1941.6369630 0.56 1964.3757320 0.10 1978.0432130 0.19 1999.5896000 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 567.3175 Annotation 6alpha-Glucuronosylhyodeoxycholate Peak:m/z Relative Intensity 179.0684662 0.03 191.3877106 0.01 193.0501709 0.04 216.1967773 0.04 217.2477417 0.01 233.3069763 0.04 234.9647217 0.04 251.2001038 0.07 257.0536804 0.13 259.1181030 0.04 272.9939270 0.09 281.3118286 0.03 307.0391846 0.06 323.0010376 0.05 339.3161621 0.07 356.2670288 0.03 386.5675659 0.02 390.3200073 0.02 398.2117920 0.06 404.6244507 0.03 405.9982300 0.03 413.1310425 0.02 417.7610474 0.05 423.2431030 0.03 433.1855469 0.04 434.1848145 0.22 435.2893677 0.02 453.2011108 0.02 464.4668579 0.08 476.4216919 0.01 478.3396606 0.01 479.2887573 0.03 480.3892822 0.01 487.2622681 0.05 490.5878296 0.06 495.6625366 0.02 505.6503296 0.12 507.2274780 0.30 513.4735718 0.05 521.3786011 100.00 522.3128052 0.06 523.2383423 0.21 524.1604004 0.09 525.6784058 0.06 531.2617188 0.05 534.2991333 0.11 535.3352051 0.04 537.2011108 0.03 545.4678345 0.23 548.2319946 0.01 549.3312988 0.19 552.3536987 0.02 558.3882446 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1091.8123 Annotation Unknow Peak:m/z Relative Intensity 331.1248474 0.29 390.4516602 0.23 425.1826782 1.19 427.1203613 1.15 431.0133667 0.36 476.8464661 0.46 494.5161133 0.42 512.2984619 0.22 514.3371582 0.61 527.6038818 0.07 544.3778687 0.29 572.1857910 1.12 572.8831177 0.20 591.4927368 0.16 608.1986084 0.15 613.2946777 0.62 614.2175293 0.39 631.2619629 0.17 641.2179565 0.73 642.4992065 0.10 644.3112793 0.35 659.3538818 1.01 660.3383789 0.71 670.1475830 0.30 686.6585693 0.32 687.3380127 0.21 704.3051758 2.18 705.3990479 0.33 707.5164185 0.17 724.9649658 0.29 745.1378174 0.41 772.0363159 0.06 773.5451660 0.77 774.4321289 0.20 778.1452637 0.13 789.5405273 0.89 791.4228516 2.86 792.3500366 0.40 795.1965332 0.10 806.3522949 0.64 807.2760010 0.41 814.6256104 0.12 825.4357910 0.40 842.6647949 0.14 849.6552734 0.32 854.1618652 1.93 869.5244141 0.08 891.4377441 1.46 902.6037598 0.50 903.6359863 0.32 906.9897461 1.64 914.7060547 0.29 921.1424561 0.36 921.7458496 0.37 922.5341797 0.62 928.8579102 1.12 938.4307861 1.27 939.5085449 2.00 954.6436768 0.67 955.4725342 0.55 962.4804688 0.33 963.9769287 0.26 973.5476074 0.50 977.9930420 0.85 987.8081055 0.94 991.3566895 0.25 1011.4333500 0.98 1012.2827150 0.09 1014.9681400 3.22 1018.0925290 0.72 1019.6768800 0.08 1022.2998050 17.73 1023.2646480 0.77 1023.8710940 0.25 1025.1982420 0.35 1042.9635010 2.56 1045.4096680 1.36 1047.5747070 0.52 1048.7878420 1.14 1050.2395020 0.05 1051.2355960 0.22 1055.0151370 1.14 1057.3447270 0.82 1058.3984380 4.07 1059.0207520 100.00 1059.9516600 11.04 1060.8470460 2.78 1061.9064940 5.66 1062.7609860 0.78 1064.9727780 0.91 1066.4899900 0.54 1070.3925780 1.05 1072.5837400 2.70 1074.4168700 0.52 1075.8120120 0.06 1077.5061040 0.23 1081.1408690 0.76 1097.2113040 0.14 1099.6203610 0.93 1105.4152830 21.49 1106.0152590 0.16 1108.2630620 0.33 1110.3525390 0.36 1126.8194580 0.39 1130.2839360 0.14 1137.8242190 0.89 1138.4729000 1.15 1139.2873540 0.55 1143.0541990 16.11 1143.7012940 4.46 1150.6835940 0.39 1154.9317630 0.59 1166.6970210 0.99 1176.8117680 0.21 1178.0246580 0.22 1192.2038570 18.15 1193.1374510 1.35 1205.6534420 0.59 1211.8636470 0.71 1215.5380860 1.61 1218.8571780 0.22 1221.1502690 14.18 1221.9219970 3.37 1223.6304930 1.94 1224.3643800 0.27 1249.3696290 0.33 1253.4443360 2.44 1259.2470700 1.82 1268.9304200 0.12 1270.5461430 0.72 1271.5231930 0.36 1273.7561040 0.11 1274.9570310 0.50 1278.3083500 0.12 1278.9536130 1.42 1280.0488280 5.31 1280.8581540 1.31 1284.7958980 0.60 1287.2584230 0.42 1301.4387210 1.34 1302.6621090 1.36 1303.5788570 0.54 1304.4610600 1.19 1307.9608150 0.61 1313.7014160 22.89 1314.9958500 0.31 1316.0784910 0.70 1319.0520020 1.23 1325.0815430 0.48 1327.8664550 2.29 1336.3917240 10.24 1337.2427980 2.72 1344.9349370 0.34 1347.2790530 0.16 1349.3151860 1.11 1353.4073490 2.05 1354.7910160 0.79 1356.8199460 5.62 1360.1705320 0.41 1362.6815190 65.22 1363.5670170 1.56 1364.3646240 1.76 1365.2309570 0.21 1367.5600590 0.94 1369.6146240 0.16 1373.4290770 1.16 1375.8503420 0.41 1379.0955810 1.87 1380.2103270 0.19 1381.5224610 0.16 1383.8543700 1.26 1385.0187990 1.25 1393.0321040 20.50 1394.3829350 1.58 1395.0921630 0.05 1397.9578860 0.59 1401.7857670 0.18 1402.4079590 0.38 1406.1346440 2.32 1411.5690920 18.77 1412.1915280 7.55 1413.2489010 1.43 1414.8443600 1.27 1415.9354250 0.84 1420.8973390 0.18 1441.9742430 0.16 1446.9739990 0.08 1448.4456790 3.53 1449.7355960 0.76 1466.5106200 2.32 1467.3720700 0.33 1469.9615480 0.49 1478.8822020 0.42 1482.3734130 0.06 1487.7545170 0.18 1493.8909910 0.20 1495.0129390 0.34 1501.4674070 0.44 1507.4776610 0.26 1511.8587650 0.28 1515.7475590 2.89 1516.7628170 0.98 1519.7652590 0.52 1528.2393800 0.74 1529.0192870 0.56 1530.8315430 0.17 1542.9102780 0.08 1546.8808590 0.21 1547.5025630 0.90 1561.6975100 1.03 1562.8037110 2.26 1563.7470700 1.35 1566.6899410 0.19 1572.5797120 2.11 1573.3242190 0.44 1585.0080570 0.25 1599.6428220 1.20 1608.1004640 1.02 1609.6589360 0.72 1611.8292240 0.49 1631.1624760 0.31 1632.0870360 0.22 1640.6356200 1.03 1641.4670410 0.23 1647.0539550 0.78 1657.3873290 3.19 1658.1101070 0.89 1658.7843020 0.13 1661.4342040 0.21 1673.8773190 0.33 1675.9686280 0.15 1679.8350830 0.25 1705.6492920 0.77 1714.3177490 4.38 1714.9201660 1.27 1722.4211430 0.64 1747.9295650 0.23 1754.5241700 0.39 1774.0672610 0.14 1781.0715330 0.46 1788.0563960 0.29 1789.1280520 0.33 1808.9167480 0.37 1810.4997560 0.26 1829.1574710 1.64 1831.3006590 2.04 1831.9105220 0.35 1833.1939700 0.49 1847.2219240 0.32 1869.0645750 0.36 1902.0140380 0.49 1918.5109860 0.46 1927.2135010 0.64 1929.4870610 0.67 1962.6192630 0.60 1969.0364990 0.32 1970.0695800 0.56 1998.4031980 0.47 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 715.2874 Annotation Unknow Peak:m/z Relative Intensity 221.2794037 0.10 222.3041382 1.08 247.0248108 0.19 249.2289429 0.13 263.7576294 0.18 264.8189697 0.66 266.3844910 0.08 270.2312622 0.26 273.1162109 0.27 274.1761475 0.59 275.3553772 0.08 281.0556335 0.24 289.1851196 0.10 290.2667542 0.87 291.3014221 0.12 293.3620911 0.05 307.1873779 0.39 313.1503906 0.51 316.3104248 1.02 317.3991699 0.13 318.3716431 0.40 319.3707275 0.50 337.2019653 0.29 340.7635498 0.57 355.4334106 0.14 357.2756348 2.50 358.3557129 0.13 359.1099243 0.15 379.1926880 0.32 382.3307495 0.90 383.1977539 0.09 398.4448242 11.08 399.3467407 37.74 400.2421265 14.07 401.3565063 1.30 402.2196655 0.18 421.5147095 0.15 424.6367188 0.35 425.3936157 1.65 426.2965698 0.44 429.2641602 0.09 442.3181152 80.43 443.3032837 17.23 447.3342896 0.35 448.4542236 1.23 449.3128052 1.08 473.3234863 0.34 474.2921753 0.22 475.0588989 0.05 490.2288818 100.00 491.2844849 22.92 492.4007568 0.80 497.2979126 0.06 525.3662109 0.12 533.4985352 0.26 534.2438965 2.98 535.1937866 0.76 578.0768433 0.09 595.3903809 0.24 599.5049438 0.15 630.4505005 0.06 642.3705444 0.05 652.2685547 0.44 655.3048706 0.13 671.4775391 0.33 672.6799316 0.41 680.3779297 0.05 697.4821167 0.12 698.3666382 1.48 707.0125122 0.38 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1263.5608 Annotation Ageratoside A3 Peak:m/z Relative Intensity 365.4597778 0.04 439.3901062 0.04 440.5007935 0.49 452.9915771 0.06 455.6108093 0.10 483.5240173 1.04 484.5147095 0.04 501.4676514 2.84 502.4591980 1.26 512.4455566 0.18 543.3376465 0.12 544.7386475 0.13 545.9560547 0.13 588.5904541 0.04 748.6936035 0.19 809.0487061 0.28 810.3494873 5.56 811.4656372 1.22 851.4893799 0.12 853.3082275 0.36 854.1497803 0.06 893.3488770 0.18 939.3498535 0.27 955.5548096 27.17 956.5356445 100.00 957.5085449 31.18 958.1899414 0.17 1052.8228760 0.40 1088.1485600 0.16 1089.7321780 0.07 1096.6878660 0.09 1102.4204100 0.06 1131.4213870 0.09 1132.6004640 0.38 1133.3156740 0.12 1134.3712160 0.61 1202.6359860 0.17 1246.5876460 0.54 1247.4938960 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 369.1647 Annotation Unknow Peak:m/z Relative Intensity 124.7733231 0.02 130.7818909 0.05 133.1582031 0.06 135.2310181 0.04 136.0116119 0.04 158.0437317 0.03 161.0732117 0.02 164.1141968 0.37 166.1869659 0.11 170.1817017 0.05 171.0696716 0.04 177.1065063 0.04 182.0468597 14.37 188.6792297 0.03 194.0580444 0.03 195.2202454 0.08 198.1151428 0.34 200.5552368 0.08 205.1673889 0.04 219.0705261 0.04 221.0630188 0.09 223.1586914 0.09 229.0595093 0.21 235.2895813 0.09 237.1361084 0.23 242.3868408 0.06 243.0915833 0.02 248.3862305 0.04 252.0609741 0.02 252.9560547 0.05 268.4207153 0.06 272.0281372 0.06 273.1515503 0.06 282.3313293 0.04 283.0945435 0.12 287.1929626 0.10 290.5463257 0.11 291.3989563 0.05 293.8432312 0.14 295.3244019 0.07 297.1469727 0.03 299.1654053 0.02 302.3100281 0.02 304.2122498 0.02 305.6699829 0.07 308.0715027 0.14 308.8616943 0.03 310.2513733 0.12 311.0678711 0.03 312.9274292 0.23 315.3776855 0.04 318.9454956 0.90 319.6571045 0.25 321.6297913 0.03 323.4164734 0.14 324.9765320 0.03 325.5956421 0.19 327.2952881 0.36 328.3867493 0.07 331.2349854 0.07 333.2662659 1.68 336.2655334 2.34 336.9534912 19.63 340.6930237 0.03 341.3030396 0.03 351.1636047 100.00 352.4207153 0.02 354.2878113 0.08 360.1689758 0.16 367.9632263 0.14 368.5791626 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 783.3818 Annotation Pregnadienolone-3-O-beta-D-gracillimatriose Peak:m/z Relative Intensity 243.3664551 0.19 244.9607544 0.52 246.8452759 0.42 258.1594849 0.09 259.4006958 0.84 263.4177551 0.28 265.3161621 0.39 280.1213074 1.53 281.1451416 0.93 285.3051147 0.73 301.1353149 1.22 303.4111633 2.19 306.3621216 0.42 315.2937622 0.14 324.3700562 0.19 327.9457092 0.28 331.3986206 0.33 335.6752319 1.51 337.0557251 1.02 343.2810669 0.72 344.9832153 0.26 351.4244995 3.64 357.3569946 0.36 369.3919678 6.51 379.1640625 0.14 382.2239990 0.33 385.4088745 0.19 387.7033691 0.21 397.4235840 0.34 406.2722778 0.38 409.4224243 8.50 415.4489746 2.49 427.4904785 9.50 429.7874756 0.27 430.5136719 0.08 443.4649048 0.21 445.3537598 16.72 446.2904053 2.08 463.4127197 1.37 469.5396118 0.43 471.3763428 0.60 492.0937500 0.12 501.2854004 0.17 505.3303833 0.31 521.6179810 0.23 536.0590210 1.73 537.3723755 1.45 538.4086914 0.56 541.4483643 2.94 551.4773560 0.12 553.3178101 2.48 555.3753052 0.48 556.5059204 1.33 557.5452881 0.14 559.2002563 0.31 559.8796387 0.32 565.4763794 0.55 571.4751587 7.75 577.7304077 0.36 579.8931274 0.09 588.2977905 0.55 589.3490601 25.06 590.6549072 0.15 591.7675781 0.60 599.8228149 0.85 603.4928589 1.08 607.5288086 19.97 608.2871704 0.20 616.8611450 0.32 618.4469604 1.18 621.6185913 0.69 629.5390015 1.47 641.5346069 0.36 647.3857422 1.90 649.3506470 0.62 659.5089722 2.15 661.2874146 0.74 663.7971802 0.24 665.5925903 1.32 675.2838745 0.43 677.3491821 3.17 685.5645142 0.79 686.6702271 0.24 692.6149292 0.35 701.4786987 1.11 702.4458618 0.86 703.6245117 9.31 704.7802124 1.39 721.6002808 1.31 723.4522705 8.55 724.2659912 0.13 727.5783081 1.18 735.4514771 0.23 738.5665283 2.49 739.4666138 7.40 747.4165039 5.14 749.6002808 0.14 750.5587158 0.29 751.3412476 0.51 764.1096802 2.88 765.5111694 100.00 785.0421143 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 656.5396 Annotation Unknow Peak:m/z Relative Intensity 195.3428345 0.22 201.4335022 0.05 216.1642151 0.22 221.4096222 0.15 222.2065887 0.36 223.0718842 0.07 224.9408264 0.15 226.1784363 0.33 227.3641357 0.32 231.1140747 0.47 232.2588501 0.37 234.3713531 0.30 238.1803894 0.09 239.4566650 0.19 240.9960785 1.80 246.9920654 0.08 247.7829132 0.10 250.4340515 0.11 256.9968262 0.99 259.2052002 0.65 262.4043274 0.29 263.0345764 0.05 269.4466858 0.15 270.7984009 4.54 271.6501770 1.00 273.1823730 0.20 277.6698914 0.60 282.6332092 0.09 286.0588684 0.10 287.4185181 0.03 289.2520142 0.06 292.0934143 0.25 297.4226990 0.77 298.0388184 0.12 301.1876831 0.06 309.1994629 0.32 310.2954712 0.60 311.7490234 1.12 312.9757690 0.07 315.2403259 0.46 316.3475952 0.05 317.1995239 0.12 320.3262329 0.12 323.9859009 0.17 326.3940430 0.40 327.2227173 0.19 328.3381348 0.27 330.3403320 0.27 334.4114075 0.18 337.8945312 0.43 340.5116272 0.30 342.2622681 0.18 344.1995239 0.03 346.0447388 0.13 347.9156494 0.12 349.2657471 0.08 352.8833008 0.28 355.2645264 0.12 359.6792603 1.93 360.5376587 0.04 363.6694946 0.29 365.4501343 0.81 367.0269165 0.45 367.9708862 0.13 368.9785767 1.21 372.3884888 0.13 373.3751221 0.04 375.6588745 0.24 376.8603516 0.86 380.2528076 0.27 381.9611816 3.91 382.6285400 0.44 383.8123779 2.24 384.4360352 0.19 391.0214844 2.17 392.1084595 0.47 392.8615112 0.19 396.3576660 1.27 397.4085693 0.67 398.2718506 0.29 399.2241211 0.44 402.1005859 1.86 403.7246704 0.13 405.5078735 0.17 408.0435791 1.76 408.7114258 0.25 410.3438110 0.28 411.9772949 0.58 414.4846191 0.35 415.5749512 1.29 416.4543457 0.73 419.8736572 0.21 420.8254395 0.62 422.4530640 0.08 423.4866333 0.36 424.3318481 0.07 426.0040283 0.91 426.7711792 0.04 428.0242310 0.34 430.3163452 0.09 433.5055542 1.23 436.2641602 0.38 439.5067139 9.73 440.2061768 3.01 443.4419556 1.32 444.3489990 0.33 445.5477295 18.94 447.0587769 0.46 448.1605835 0.34 451.3533936 1.30 452.3301392 1.18 453.4723511 0.60 456.3768311 0.70 459.1043701 1.04 459.7116699 0.28 460.6199341 1.11 462.3612671 1.84 463.1497192 0.88 464.4571533 0.17 467.0175171 0.79 471.3985596 0.30 472.0027466 0.29 473.7505493 2.02 476.4332275 2.42 477.2737427 0.04 479.0822754 0.11 480.7661133 0.81 482.3753662 19.12 483.4725342 0.75 484.4379883 0.49 485.8334961 2.00 487.1093750 0.14 488.3947144 26.11 490.7636108 0.23 492.1514893 0.22 494.1483765 1.83 494.8682861 5.10 495.6937866 0.91 496.6680908 0.29 498.3054199 0.16 504.1481323 4.82 505.0308838 1.08 508.6147461 0.08 510.6117554 0.37 512.4901733 0.96 513.2491455 0.32 514.6737671 0.46 515.3622437 0.09 518.2677612 0.27 519.1465454 0.11 522.8017578 4.03 523.4725952 2.11 524.4893188 0.65 525.5183716 0.34 527.3815308 1.32 528.2803955 1.18 530.4567871 3.41 531.0576172 1.29 535.0915527 0.44 536.6320801 7.94 537.7047729 0.20 538.5260010 0.69 539.6589966 1.34 540.5454102 1.22 541.5397339 0.87 542.6920776 6.69 547.7719727 0.68 548.4960327 0.61 551.3867798 0.99 552.6576538 0.45 554.5946045 0.32 555.3735962 1.39 556.9279785 0.54 558.4840698 0.70 560.5582275 7.89 561.5696411 0.37 562.4987183 0.04 564.3048096 0.98 565.3828735 3.05 566.2308960 10.45 567.2019653 1.70 568.0344849 0.28 568.9412842 0.40 569.9900513 0.27 571.6775513 0.44 572.6323242 1.00 573.9891968 0.32 580.7832031 0.06 581.6943359 0.43 582.7825317 0.34 583.8660278 0.22 587.4297485 0.91 592.6329956 1.45 594.6822510 4.61 595.6858521 0.11 596.4013062 1.79 598.1541138 1.38 598.8924561 0.24 599.6530762 0.44 601.7246094 30.49 602.6851196 0.52 603.7025757 15.39 605.3748169 69.80 606.6565552 1.66 607.6118164 0.78 608.9961548 1.13 610.3067627 0.93 611.6366577 2.32 612.4238892 1.78 613.0798950 2.61 613.6929321 0.26 616.1928101 0.17 617.3497925 1.18 618.5332642 2.37 619.6522827 2.38 620.8244019 4.31 621.6040039 17.57 622.6613159 0.24 624.1401978 5.80 625.1442871 1.91 626.1518555 0.34 627.6124878 12.42 629.2712402 2.59 630.5323486 0.40 631.5447388 3.49 632.4166870 0.35 633.5433960 1.48 634.8096924 1.57 635.9881592 0.79 637.5474243 1.71 638.2598877 5.14 639.3141479 1.71 640.8185425 6.16 642.3026733 8.32 643.6242676 23.36 644.4830933 31.72 645.2927856 3.01 646.2778931 32.28 647.8161011 1.20 649.7046509 100.00 650.9266357 1.86 651.9464722 0.56 653.7537231 0.22 655.9956665 0.47 659.5982666 0.25 664.9724121 0.15 665.6654663 0.11 667.5894165 2.87 668.2391357 2.57 669.3896484 0.21 670.2108765 0.16 672.0768433 0.28 674.8878784 0.29 675.6119385 0.13 676.7553101 4.28 679.2099609 0.86 680.4335327 2.22 681.1785278 1.64 682.8106689 0.91 684.5173950 0.20 685.4142456 0.45 686.3369751 19.94 687.3582764 2.81 687.9971924 0.39 688.9979858 0.13 689.6056519 0.12 690.4050293 0.30 691.4144287 0.19 695.3106689 3.77 696.1109619 0.03 696.8180542 0.31 698.1127930 0.99 700.1481323 6.73 702.3731079 0.72 707.5864258 0.37 708.5825195 0.23 710.3522339 1.52 711.1116333 0.15 712.0774536 0.11 715.0121460 0.65 716.3151855 1.77 717.9633789 0.32 719.8460083 1.51 721.1314087 1.48 722.7913208 0.25 724.4712524 0.82 725.5455322 0.21 726.4082642 0.63 727.2517090 0.66 728.2355957 0.39 729.1575317 2.21 730.5985107 0.35 732.0994263 0.78 733.0562134 0.33 734.4486694 3.67 735.2716675 0.61 736.0317993 0.36 736.6683960 1.13 737.8082275 1.31 739.1229858 7.28 739.7997437 0.20 740.7866211 0.82 741.3874512 0.62 743.1660767 1.63 744.2429810 1.25 745.5595703 1.53 746.9878540 1.13 747.6804810 0.08 748.4589233 0.16 749.7272339 0.72 750.6188354 1.15 752.1900024 8.10 753.0287476 21.08 753.8278198 4.20 754.9768677 0.97 755.8727417 4.31 756.4779053 74.55 757.7234497 3.45 758.4894409 4.68 759.8952026 1.00 760.5086060 0.04 761.7744141 0.67 762.7192993 1.09 763.7714233 1.24 764.7706299 1.30 765.5774536 0.45 766.3788452 1.68 767.2645264 0.51 768.5437012 1.55 769.3977661 0.33 770.6323242 1.81 772.8328247 1.51 773.5252075 1.88 774.8440552 3.06 775.6763306 4.02 777.1608887 0.51 779.2415161 9.52 780.1032104 27.97 781.4016724 1.19 782.0912476 0.02 783.7532349 22.62 784.5922852 12.21 785.4836426 0.46 786.6087036 2.47 787.5284424 2.80 788.6991577 1.65 789.9795532 1.02 792.1988525 3.06 793.3261719 0.14 794.4556274 0.55 795.5067139 1.83 796.7877808 0.94 799.2100220 0.22 800.3424683 0.50 804.7116089 0.55 805.6910400 0.16 807.5472412 0.75 809.7608032 0.66 810.6776733 0.97 811.5560913 0.34 812.5614014 0.45 816.7024536 0.63 819.2615356 7.55 820.3179932 6.07 822.2525635 3.72 823.6792603 0.54 826.5073853 0.41 828.2458496 45.28 829.3503418 0.19 830.5088501 0.37 831.4214478 0.63 837.7343750 0.44 838.6881714 0.53 839.8400269 0.15 840.5798950 0.25 841.5165405 0.43 843.9171753 0.12 844.5710449 0.20 847.3519897 0.19 848.7404785 2.02 849.6690063 0.05 854.4793091 0.48 856.6904297 0.09 858.1920776 1.27 859.4611816 0.33 861.9692993 2.53 864.7295532 0.39 868.4520874 0.11 869.3510132 0.26 872.6850586 0.45 874.9456177 1.13 875.9943848 0.19 877.1436157 0.61 879.5982056 0.40 880.3381348 1.14 880.9738159 2.33 881.6117554 0.05 882.9921875 0.16 883.6972046 0.03 884.3263550 0.33 886.6251831 0.15 888.4155273 0.07 891.7478027 2.54 892.5482788 1.70 893.3429565 0.25 900.7943726 44.03 901.6780396 12.34 902.7163696 0.87 903.7334595 0.38 905.9700317 0.88 907.9294434 0.27 911.7495117 0.53 916.8955078 0.15 917.6447144 0.12 918.4154663 0.22 922.7702026 0.15 929.2902222 0.46 937.7600708 0.21 941.3833618 0.39 943.4898071 0.09 945.6488647 0.12 947.6915894 0.79 949.2615356 0.74 950.7870483 0.83 952.4426270 0.12 953.9270630 0.27 955.7725220 2.24 956.9225464 0.67 958.7308960 0.32 959.5064087 0.57 960.6245728 0.44 962.2064819 0.49 962.9602661 0.04 964.8916626 21.74 965.8810425 9.65 966.5961914 0.10 968.4907837 0.05 970.3079224 0.52 971.5170898 0.28 972.1436157 0.28 972.7940063 0.32 977.4463501 0.37 981.5726929 0.32 982.5740356 0.10 984.5053711 1.01 985.5231323 0.56 988.3359375 0.21 989.0249634 0.29 989.7610474 0.31 996.1987305 0.21 997.0854492 0.07 1006.6909180 2.42 1007.8220210 1.40 1013.2666020 0.08 1019.7724610 0.05 1020.5260620 0.44 1021.5095210 0.62 1022.4045410 0.22 1025.7568360 0.72 1028.6965330 1.63 1029.6514890 1.01 1030.5351560 0.94 1031.5874020 0.07 1032.3884280 0.16 1033.9638670 0.22 1049.5301510 0.21 1050.6488040 0.08 1051.6710210 0.13 1053.0957030 0.23 1054.2686770 0.16 1059.5500490 0.40 1060.6110840 0.74 1064.2310790 0.21 1065.5280760 0.14 1077.8088380 1.12 1078.7984620 0.80 1082.6220700 0.24 1088.2458500 0.12 1089.1096190 0.54 1094.5778810 0.49 1095.6551510 0.34 1097.3447270 0.09 1098.6217040 0.16 1106.7233890 0.21 1113.5192870 0.07 1114.3959960 0.60 1129.1433110 0.08 1138.6672360 0.16 1140.4954830 0.10 1151.1116940 0.16 1156.7950440 0.19 1160.1047360 0.14 1168.1842040 0.21 1171.5852050 0.08 1178.5043950 0.21 1180.8489990 0.34 1187.5797120 0.24 1188.4445800 0.11 1189.0766600 0.25 1197.7790530 0.14 1204.7198490 0.11 1206.1300050 0.29 1206.8123780 0.43 1220.6524660 0.14 1224.9791260 0.21 1231.8524170 0.14 1241.3690190 0.29 1242.8540040 0.19 1256.7651370 0.22 1270.5181880 0.28 1275.0482180 0.03 1294.5578610 0.03 1299.7463380 0.06 1300.6901860 0.14 1308.4527590 0.11 1333.4268800 0.30 1352.9167480 0.14 1365.7752690 0.07 1370.0339360 0.64 1370.8236080 0.07 1371.7885740 0.38 1382.8492430 0.17 1390.5443120 0.12 1414.2017820 0.11 1419.8265380 0.11 1441.8878170 0.33 1450.5556640 0.10 1468.7105710 0.10 1470.1539310 0.18 1470.7586670 0.05 1478.8184810 0.15 1504.9685060 0.13 1508.0158690 0.22 1522.6578370 0.16 1550.8234860 0.08 1565.8078610 0.76 1567.8981930 0.36 1637.8887940 0.06 1653.9591060 0.05 1654.7684330 0.62 1671.7634280 0.15 1801.2198490 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 615.1727 Annotation Unknow Peak:m/z Relative Intensity 179.0870972 1.58 184.9468689 0.07 187.1572266 0.12 198.3837128 0.17 211.2766876 0.24 214.9053192 0.87 216.0025330 0.27 220.2156677 0.19 220.9330139 0.13 233.1245270 2.56 238.1300049 0.11 242.5006714 0.12 244.1102905 0.16 245.0219879 0.31 259.2739258 0.40 263.3008728 0.14 267.1916809 0.14 268.6603088 0.23 290.0643311 0.95 291.2742310 0.45 293.2237549 0.11 300.9976501 0.10 302.1958313 0.19 307.5109863 9.95 308.1993408 100.00 315.3513184 0.20 316.4475708 0.17 318.6005249 0.14 321.3450317 0.31 322.9639282 0.17 331.3151245 0.16 333.4279785 0.61 336.1472778 0.16 338.0511475 0.27 339.4888306 0.10 340.2066650 0.07 341.3682251 0.40 342.3220215 0.15 344.4597778 0.28 345.1647339 0.12 346.2545776 0.22 348.9317017 0.40 351.1209717 0.33 355.2621460 0.52 356.1891479 1.05 357.0863037 0.16 358.2933350 0.52 370.4959106 0.22 373.6932373 0.14 377.3616333 0.25 383.2484741 0.21 386.8080444 0.29 388.3972778 0.07 400.3635254 0.11 405.2601929 0.08 406.1268311 0.25 407.3675537 0.43 409.4389038 0.84 411.0562744 0.10 412.1647949 0.56 413.3414917 0.23 414.4449463 0.25 416.4550171 0.11 417.4130859 0.58 418.1726685 0.18 422.3002319 0.07 423.1605225 2.54 425.3968506 0.08 429.5597534 0.22 433.3228149 0.23 436.8949585 0.23 437.9621582 0.21 439.0173950 2.08 440.2143555 0.15 441.2555542 0.10 443.6519775 0.58 451.2636108 0.22 452.2752075 1.33 453.3093262 0.04 454.9042358 0.16 463.3157349 0.14 465.4372559 0.37 467.4169922 0.25 474.7929077 1.15 479.0733643 0.30 480.5968628 0.21 481.2556152 0.30 482.3689575 1.50 484.1948242 0.82 485.3238525 0.90 486.2254639 1.55 492.3917847 0.24 493.9171143 0.71 496.1409302 0.36 498.4026489 0.09 499.1968384 0.36 500.6210327 0.28 502.3096313 0.17 516.2586060 0.12 524.6315918 0.12 525.2827148 0.36 526.4125366 0.30 527.2794800 0.34 530.7119751 0.86 533.1577148 0.36 539.2852783 0.17 548.5313110 1.80 549.2786255 0.38 551.1972046 0.55 553.1962891 0.08 565.6057739 0.19 569.0617676 0.48 578.3231812 1.33 579.4518433 0.21 589.8326416 0.91 596.3839111 2.23 597.3049927 2.60 599.2219849 1.19 600.9851685 0.69 602.9049683 0.61 604.4528198 0.31 606.0759888 2.36 606.7863159 0.32 607.9355469 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 449.1488 Annotation Unknow Peak:m/z Relative Intensity 177.1475830 0.37 195.0898132 0.29 199.1700287 0.66 213.0149536 0.22 223.2130585 0.94 241.1239929 5.66 242.3056030 0.48 245.0204468 0.18 251.3327942 0.37 255.4765930 0.57 257.0706482 100.00 258.0902710 1.23 259.1145020 2.37 263.2852173 0.21 286.2959900 0.32 303.2085571 1.11 343.3386230 0.18 349.1933594 0.50 361.2347717 0.14 387.4116516 0.11 389.1287842 0.84 403.3823547 0.20 404.3860779 0.48 405.4480286 0.35 419.1536255 0.48 431.4235229 1.52 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 801.3912 Annotation Unknow Peak:m/z Relative Intensity 234.3783569 0.70 235.2858734 0.32 241.2899628 0.09 243.1344910 0.49 245.1143341 0.10 249.3199158 0.17 254.8384399 0.06 257.3235779 0.22 267.2850342 0.22 269.3500671 0.13 279.0974121 0.15 285.3750305 0.97 286.3151855 0.63 287.1734009 0.81 288.2592163 0.22 294.1572266 0.60 297.3303223 0.24 300.9991455 0.62 302.2207031 0.09 303.2833252 4.50 310.2196960 0.09 312.0515442 0.10 314.4372559 0.19 315.4790039 0.21 317.0830688 0.49 319.1093140 0.13 321.2665405 0.12 329.0032959 2.12 330.1817017 1.88 331.4662170 0.05 337.2664795 0.09 341.1812134 0.06 344.0869141 2.85 345.2517090 5.09 346.3986206 0.46 361.1063843 0.26 369.3958130 0.74 371.1530762 0.77 372.2158203 0.14 375.2876587 1.24 384.2262573 0.18 387.1291504 2.05 388.0411987 0.16 398.2085571 0.86 411.3500366 0.11 413.2976685 0.13 423.4512329 0.49 427.3295288 1.42 429.1387939 0.50 444.3649902 0.22 445.4518433 4.65 453.2116699 0.31 456.3492432 0.24 459.2817993 0.12 460.6106567 0.10 461.5068359 0.18 463.3659668 13.37 464.3117065 0.50 469.0912476 0.19 474.9672241 0.15 491.0228271 0.09 492.7300415 0.09 493.8773804 0.51 497.6525269 0.09 505.0533447 0.21 506.0288696 0.12 510.4889526 0.14 515.5526733 0.43 518.8071289 0.29 520.0899048 0.06 529.5487061 0.13 533.4406738 0.23 535.4838867 0.15 536.5617676 0.24 551.3807373 0.82 576.3966064 0.34 583.2951050 0.29 591.7675171 0.05 592.7618408 0.12 597.4888306 0.41 598.5024414 0.16 601.4275513 0.28 605.4735107 0.13 607.2490845 3.82 612.9504395 0.08 613.7441406 0.09 620.0740356 0.08 621.4370728 0.29 625.3779907 100.00 626.0075684 0.38 633.3078613 0.37 639.3674316 1.64 641.1444702 0.15 651.2756958 5.11 655.1616821 2.72 661.3203735 0.30 665.8406372 0.17 667.4817505 0.36 669.2550659 2.95 670.6636353 0.49 675.2196655 0.27 677.3853760 0.38 678.4431763 0.67 679.3927612 0.69 681.5939331 0.49 683.5880127 0.98 690.3308105 0.20 695.5116577 1.53 699.6740723 0.19 702.5838013 0.23 703.7756958 0.14 704.4558105 0.08 705.7556763 0.42 713.6475220 0.23 720.6701050 0.27 721.4348755 2.72 724.8710938 0.18 734.1928101 0.07 739.4025269 1.97 740.6425171 0.40 741.5225220 3.23 746.4448853 0.53 749.3344116 0.08 751.8044434 0.15 755.5474243 0.31 757.1351318 0.11 757.8107300 0.08 764.8961182 0.44 765.7090454 1.10 767.7545776 0.09 769.1823730 1.23 770.1246338 0.20 771.6825562 0.11 782.3733521 1.77 783.5090942 35.63 784.7492065 1.71 786.3462524 1.04 787.3036499 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 961.2255 Annotation Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) Peak:m/z Relative Intensity 283.1785278 0.02 299.1728210 0.04 301.3280945 0.03 325.2520142 0.01 328.2015991 0.25 329.2744751 0.53 341.2199097 0.01 343.0798340 0.20 351.2905273 0.02 353.1718140 0.01 355.4170227 0.03 371.1835938 0.12 373.5046997 0.01 379.2023315 0.04 381.4429932 0.02 383.2783813 0.03 400.6898804 0.01 409.1565552 0.02 427.3197632 0.01 436.1846924 0.06 437.4013672 0.02 442.3828735 0.03 445.0575562 0.01 449.6967163 0.02 455.1988525 0.07 465.4452515 0.05 469.6203003 0.03 479.2335205 0.01 485.2318115 0.06 491.2422485 0.02 503.1188965 0.21 503.7227173 0.06 527.0976562 0.13 545.3468628 0.02 548.5673218 0.08 563.6813965 0.02 575.2548828 0.07 587.5786743 0.10 590.4248047 0.02 603.3147583 0.03 605.4091187 0.02 615.7603149 0.04 617.3110962 0.45 623.4263916 0.27 631.0743408 0.05 635.1845093 0.17 637.3731079 0.01 653.2030029 0.32 656.5733643 0.03 674.3729248 0.05 675.0693359 0.04 707.7587280 0.02 719.7661743 0.04 733.7797852 0.04 735.3640137 0.04 749.1679077 0.07 753.0455322 0.04 762.4236450 0.04 767.3789062 7.93 769.4229126 0.15 779.2257690 0.02 781.1334839 0.22 781.7955322 0.07 783.2982788 0.03 785.2145386 100.00 786.0205688 0.30 787.2221069 0.17 795.4699097 0.13 797.3764038 0.03 799.2317505 6.71 800.0158691 0.02 805.3560181 0.06 811.0751343 0.18 813.1439819 0.03 822.3068848 0.01 825.1921387 0.03 829.3977661 1.06 837.2910767 0.06 839.5532837 0.10 840.6812134 0.02 857.5119019 0.03 865.5626831 0.06 871.3593750 0.08 883.0121460 0.03 900.6260376 0.07 906.2264404 0.01 909.9617310 0.04 916.5708618 0.18 924.5425415 0.16 928.4225464 0.05 942.3847046 0.83 943.5122681 0.33 944.6235962 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 906.1294 Annotation Unknow Peak:m/z Relative Intensity 258.3245239 0.05 260.9959412 0.88 262.3776245 0.19 263.2260742 0.08 278.2757874 0.05 304.3500977 0.04 315.1575928 0.36 316.3113403 0.34 330.3354492 0.17 331.5090942 0.48 349.1412354 0.24 355.3107910 0.11 356.3205872 0.19 359.8304749 0.57 360.4556580 0.36 361.3921204 0.04 363.1747742 0.06 366.2723999 0.76 367.3759155 0.35 372.1989136 0.08 399.2227173 0.30 400.5142212 0.16 407.3916016 0.20 419.4349365 0.06 429.3895264 0.32 430.4490356 0.05 440.2437134 0.04 453.2185059 0.09 455.4312744 0.04 460.6802368 0.16 463.4589233 1.70 464.3093262 0.32 465.2581177 0.19 493.4321899 0.05 494.4573364 0.09 500.6481934 0.07 510.0850830 0.33 520.2202148 0.04 545.4698486 0.25 552.2593384 0.23 556.7555542 0.14 562.3617554 2.44 563.5828857 0.71 564.6286621 0.07 565.7252808 0.16 567.3941040 0.13 585.0557251 0.13 586.4722290 0.37 588.4313965 0.06 597.3184204 0.07 607.3781128 0.07 608.5790405 0.24 610.1530151 0.31 618.5203247 0.56 633.4304810 0.08 634.4983521 0.12 636.6024170 0.06 640.3142090 0.04 656.4700317 0.24 672.8427124 0.38 673.6954346 0.24 679.4494019 0.07 692.4161987 0.48 698.3553467 0.20 718.8989868 0.30 720.6741943 0.32 723.0776367 0.14 724.1405640 0.39 735.2221069 0.24 736.3048706 0.43 737.0701294 0.23 744.6229858 0.10 765.0782471 0.07 766.2172241 0.13 772.1013794 0.16 784.0571289 0.14 790.5619507 0.04 793.1762695 0.12 810.4049683 0.15 812.6078491 0.75 814.2388916 0.06 815.0795288 0.07 816.6117554 0.35 817.3676758 0.76 826.7808228 0.08 827.6229248 0.73 829.6669312 0.56 830.4646606 0.04 834.6953125 0.06 836.7170410 0.65 837.7135620 2.48 838.7537231 0.30 839.8569946 0.49 840.7813721 0.10 841.7444458 2.72 842.5641479 1.39 843.8894653 0.57 845.8132935 2.91 846.6131592 1.27 847.9127808 0.51 849.6334839 0.99 851.1847534 1.97 851.8340454 0.62 852.4968872 0.51 854.1376343 0.76 855.1519165 0.72 855.9285278 0.87 856.5678101 0.24 858.1713257 0.38 859.7366943 1.12 863.0812378 0.74 863.9448853 0.73 864.7969360 0.97 865.7119751 2.80 866.3840942 0.80 867.3678589 1.91 868.3316040 0.44 869.0343018 0.70 869.9921265 2.05 871.1079712 1.47 872.2987671 1.46 873.4997559 1.36 874.3934937 6.37 875.9954224 1.10 877.9061890 2.80 878.7531128 6.55 879.3853149 3.43 880.4600830 1.12 882.5729370 2.32 883.7379150 0.40 884.4875488 0.41 886.8936157 0.42 887.8994751 1.01 888.9713745 1.80 889.9084473 0.21 891.1525269 9.09 892.0864868 0.35 893.5568237 10.48 894.2317505 4.42 895.4669800 11.13 896.3751831 4.39 898.0037231 1.59 898.6537476 0.42 899.8925171 0.09 900.5409546 0.09 901.8106079 0.19 912.7377319 0.08 915.8674927 0.03 924.8005371 0.40 927.0121460 0.57 934.5950317 0.18 936.1348267 0.47 937.9871216 0.17 938.6751099 0.64 939.6321411 0.09 940.2937012 0.36 941.0477905 0.36 941.8896484 0.16 945.7197876 0.60 947.7127075 0.10 949.8799438 0.38 952.0564575 0.26 953.8629761 0.16 957.2393188 0.36 959.1242676 0.06 960.1972046 0.07 962.3087769 1.06 964.7619629 1.20 966.5827026 0.59 967.6977539 0.43 969.8652954 0.28 972.5800171 1.22 973.8582153 0.49 975.7612305 0.69 977.6926270 0.18 978.9350586 0.18 980.3054810 1.21 981.9758911 0.29 983.1685181 0.42 984.0654297 0.12 987.0195312 0.60 988.3269043 0.84 988.9735718 0.45 990.8220215 0.68 992.6108398 0.22 993.4806519 0.24 994.7506714 0.62 996.2000122 0.60 997.9859009 0.41 999.4902954 0.30 1000.3419800 1.68 1001.2105100 0.88 1005.0607910 1.08 1005.9453120 1.43 1007.1206050 0.43 1008.1312870 0.12 1009.9575810 1.81 1010.9936520 1.02 1011.9666140 0.79 1012.5761720 0.52 1013.7537230 0.32 1014.7773440 1.10 1015.6640620 2.14 1016.6901860 0.97 1017.3587040 0.10 1017.9797970 2.22 1018.7962040 0.28 1019.6791380 0.68 1021.3535160 0.87 1022.1238400 1.38 1023.2315060 1.24 1023.9873050 0.83 1025.8496090 0.51 1026.5517580 0.09 1030.6665040 0.79 1031.3096920 0.41 1032.6296390 2.81 1033.5937500 0.27 1035.4240720 1.02 1036.4182130 0.98 1038.8684080 2.00 1039.4998780 0.99 1040.6459960 4.38 1042.0249020 0.36 1043.1519780 2.37 1044.9265140 0.37 1045.9270020 0.77 1048.7955320 4.51 1049.6384280 0.49 1050.2937010 0.18 1050.9876710 0.15 1052.2723390 0.73 1054.5024410 2.29 1055.7412110 2.16 1057.1943360 0.95 1057.9759520 0.54 1058.8795170 0.18 1060.4855960 1.13 1061.5738530 0.72 1062.2885740 1.18 1064.1418460 0.16 1065.2077640 0.53 1067.3507080 0.38 1068.2314450 1.64 1069.3702390 1.20 1070.2585450 0.74 1071.2768550 1.89 1073.4709470 3.17 1074.2922360 0.42 1076.2017820 1.20 1077.0494380 2.00 1077.9970700 1.42 1079.0273440 2.10 1080.3166500 0.97 1081.0673830 1.77 1081.7338870 0.31 1083.0496830 14.00 1083.9760740 4.69 1084.7260740 2.92 1085.7252200 1.20 1086.6250000 1.09 1087.3063960 0.31 1088.9406740 26.48 1089.6738280 15.36 1090.3137210 0.44 1091.0375980 1.06 1092.3564450 2.93 1093.0454100 1.53 1093.6784670 1.35 1095.0687260 1.24 1095.8830570 1.38 1097.7784420 0.52 1099.0163570 0.45 1100.0487060 0.90 1100.8714600 0.87 1101.7928470 0.49 1102.9451900 0.18 1104.0280760 0.35 1104.6357420 0.17 1106.3764650 0.94 1107.2900390 0.43 1108.1735840 0.91 1109.8093260 3.80 1110.8380130 4.97 1111.8225100 2.50 1112.8198240 1.54 1115.2434080 2.39 1116.2366940 25.19 1117.2075200 4.10 1118.1400150 0.24 1120.3216550 4.56 1121.5476070 9.66 1122.2731930 100.00 1124.1096190 1.44 1125.1005860 1.42 1126.8256840 11.06 1127.8740230 1.84 1128.6053470 1.32 1129.3684080 0.05 1130.1530760 0.08 1131.2644040 1.37 1132.6734620 11.10 1133.7055660 1.60 1135.2868650 1.73 1136.7778320 1.69 1137.9666750 1.09 1139.1220700 0.59 1139.8959960 0.37 1140.7785640 1.19 1142.0780030 1.64 1142.9443360 0.32 1143.8604740 0.07 1145.3889160 2.04 1148.2514650 2.85 1148.9373780 0.51 1149.9040530 0.37 1150.8034670 1.29 1151.9392090 0.21 1153.2971190 0.21 1153.9555660 5.65 1154.7752690 1.67 1155.4443360 0.93 1156.8371580 0.38 1157.5180660 1.45 1158.3664550 0.73 1159.2314450 1.66 1160.1147460 18.73 1161.0085450 4.26 1162.0291750 1.09 1162.7990720 0.07 1163.6424560 1.47 1164.9293210 5.74 1165.8764650 3.95 1166.9541020 0.20 1168.0791020 0.06 1169.5437010 1.67 1170.7314450 8.24 1171.4163820 12.38 1172.2789310 1.09 1173.2792970 0.46 1174.0280760 0.39 1175.9377440 0.82 1176.8201900 0.99 1179.7814940 0.29 1180.7500000 0.15 1181.4064940 0.08 1183.1162110 0.27 1183.8475340 0.10 1186.3067630 0.38 1192.1435550 0.30 1196.0637210 0.72 1196.7337650 0.04 1197.7835690 0.44 1203.6770020 0.21 1211.2851560 0.32 1212.1120610 0.16 1213.2380370 0.32 1219.2481690 0.08 1224.2912600 0.65 1226.3115230 0.21 1228.0776370 0.22 1233.5759280 0.21 1235.3010250 0.29 1247.5058590 0.05 1249.2518310 0.15 1253.9526370 0.30 1254.6113280 0.02 1255.3287350 0.12 1256.0555420 0.15 1256.6921390 0.27 1258.7303470 0.08 1268.7066650 0.07 1271.3323970 0.62 1272.9888920 0.07 1275.1483150 0.30 1296.0313720 0.03 1298.4027100 0.08 1300.4428710 0.14 1304.5938720 0.35 1308.0589600 0.14 1309.4185790 0.06 1311.0548100 0.68 1314.1746830 0.16 1316.7830810 0.47 1318.5787350 0.12 1319.4074710 0.21 1320.0905760 0.16 1325.4652100 0.23 1326.5427250 0.31 1328.0612790 0.03 1333.2274170 0.35 1334.2125240 0.17 1336.9875490 0.56 1340.0482180 0.09 1341.9536130 0.10 1343.1849370 0.49 1348.3344730 0.06 1349.6942140 0.19 1351.1658940 0.15 1352.1005860 0.34 1352.7438960 0.34 1355.0695800 0.26 1356.6629640 0.14 1362.0523680 0.31 1363.2661130 0.29 1364.6777340 0.25 1371.9295650 0.36 1373.4112550 0.68 1374.6510010 0.06 1376.4367680 0.26 1379.6694340 0.05 1382.4300540 0.34 1384.1201170 0.25 1386.7103270 0.11 1387.9119870 0.19 1392.0975340 0.51 1393.3092040 0.67 1396.4360350 0.21 1398.9368900 0.12 1399.9451900 0.59 1401.7921140 0.90 1406.5736080 0.48 1410.1483150 0.33 1411.1861570 0.48 1416.1766360 0.36 1427.0709230 0.22 1430.0689700 0.11 1434.4244380 0.42 1440.1206050 0.20 1441.0424800 0.61 1442.7059330 0.76 1444.2513430 0.30 1448.8218990 0.36 1449.6364750 0.37 1451.6878660 0.72 1452.3643800 0.04 1453.6926270 0.24 1454.6738280 0.04 1455.7944340 0.20 1456.4886470 0.31 1459.5428470 0.37 1460.1999510 0.28 1462.7208250 0.66 1465.2886960 0.46 1467.5657960 0.15 1473.0091550 0.14 1474.9095460 0.45 1476.7518310 0.13 1482.3873290 0.28 1483.2117920 0.20 1484.1884770 0.58 1484.8621830 0.17 1485.7160640 0.29 1487.8753660 0.04 1492.7685550 0.15 1494.7359620 0.07 1497.2722170 0.10 1498.4893800 0.39 1500.0340580 0.52 1500.7667240 0.69 1501.3789060 0.42 1504.6333010 0.38 1507.5540770 0.75 1508.3382570 0.55 1509.0296630 1.22 1509.8179930 0.21 1510.7979740 0.06 1514.2354740 0.73 1516.8067630 1.80 1518.1881100 0.30 1523.2438960 0.77 1525.2988280 4.95 1526.2585450 2.52 1526.9466550 0.39 1527.7239990 0.19 1532.1529540 0.15 1533.5019530 0.26 1535.2440190 0.17 1538.6973880 0.31 1541.3763430 0.09 1545.8057860 0.21 1546.4699710 0.07 1547.4427490 0.73 1549.2293700 0.20 1550.4617920 0.62 1551.5399170 0.17 1559.0587160 0.56 1559.7983400 1.20 1560.4256590 0.19 1562.5378420 0.03 1566.3106690 0.08 1567.2227780 0.60 1568.2354740 0.21 1568.9133300 0.43 1572.5330810 0.17 1573.7774660 0.28 1581.4823000 0.58 1582.6120610 0.44 1589.3603520 0.22 1592.3607180 0.39 1597.6632080 0.21 1600.4426270 0.09 1607.7000730 0.14 1608.6087650 0.49 1609.5535890 0.42 1617.9110110 0.60 1621.4888920 0.11 1631.0212400 0.32 1632.9196780 0.61 1635.2584230 0.42 1638.2396240 0.09 1656.0235600 0.42 1664.3643800 0.32 1670.6506350 0.16 1681.5814210 0.29 1697.7779540 0.36 1737.2844240 0.18 1751.9763180 0.09 1825.9383540 0.32 1827.9398190 0.07 1855.6594240 0.14 1888.8537600 0.12 1891.7957760 0.15 1924.2779540 0.49 1985.6199950 0.10 1992.3807370 0.11 1993.1727290 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 461.1292 Annotation Sibiricose A3 Peak:m/z Relative Intensity 134.9908142 0.12 137.0440063 0.19 143.0663452 0.41 149.0113983 6.32 160.7972412 0.36 163.0658875 0.77 165.2112732 0.06 167.0326691 16.68 178.9823761 1.50 181.0822754 0.33 187.0518188 0.06 191.1064453 4.19 193.2131348 0.07 196.0643921 0.05 197.1376343 0.45 205.3057251 0.03 209.0000000 3.49 213.2234497 0.11 217.1012268 0.11 219.9485321 0.03 221.0795441 1.36 223.3877411 0.04 227.0410156 0.20 233.0749512 0.38 239.1319733 1.52 241.1493530 0.23 249.2588501 0.02 251.1021423 0.19 256.9999695 2.50 263.3528748 0.04 266.0908508 0.20 267.3305054 0.37 269.2478638 0.47 275.1850586 0.08 276.1029358 0.06 277.1656799 0.18 281.1164856 1.30 282.1648865 0.35 285.1778870 0.15 286.9758606 0.07 293.3813171 0.08 294.9945679 0.06 299.0339355 4.29 299.6348572 0.10 311.2171021 0.43 314.2462158 0.10 314.9319458 0.13 327.3540649 0.08 329.2344055 2.33 337.3068848 0.10 341.2271729 14.13 342.5708923 0.09 343.1777344 0.05 353.4593811 0.09 356.2744446 0.18 363.6718445 0.07 371.3860168 0.08 373.2575073 0.09 383.4729614 0.20 387.3188477 0.44 391.3223267 0.10 395.2574768 0.13 401.1972351 43.07 415.2407532 2.84 416.2913818 0.07 419.2700806 100.00 443.2298584 0.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 563.2345 Annotation Unknow Peak:m/z Relative Intensity 161.1406708 0.28 175.1118774 0.12 191.0631866 1.54 207.1245117 0.08 217.2758331 0.08 220.1560669 0.40 220.9461212 2.67 233.1365967 0.07 234.9421082 0.03 250.3463593 0.31 251.0578918 1.15 263.0796509 0.07 266.3143311 0.17 275.1793213 0.29 281.1758118 0.26 291.0192261 0.34 293.1608276 2.66 295.4349976 0.13 307.6239014 0.06 311.0486450 5.35 355.9650879 0.05 357.1744385 0.07 358.1190186 0.04 383.3421021 0.16 386.4163818 0.04 393.2034302 1.12 398.5609741 0.03 400.7462769 0.08 401.3723755 0.27 402.2301025 0.17 403.0921021 0.10 442.4182739 0.10 443.4608154 0.03 444.9004517 0.11 475.2000732 0.20 481.8483887 0.07 498.6946411 0.26 517.2208862 100.00 517.8385620 0.41 519.4931641 0.30 525.3155518 0.09 533.2384644 0.08 535.1823120 0.06 545.2675171 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1048.3795 Annotation Unknow Peak:m/z Relative Intensity 302.1419373 0.41 332.2493896 0.31 343.2684326 1.68 344.0130615 0.73 356.8132935 0.17 361.3000183 0.72 378.1358948 0.46 384.3108521 0.47 385.3179626 0.74 389.5696716 0.24 390.3459778 0.26 391.1764526 0.22 395.3407288 0.42 396.4092102 0.64 402.5939331 0.09 426.3235474 0.30 429.3538513 0.39 435.7296753 0.22 444.1970215 0.98 446.0925903 0.72 448.1856384 0.35 457.0825806 0.35 460.6122131 0.56 474.1722412 0.14 480.1981812 0.63 482.3607788 0.20 488.4691772 0.14 493.5929260 0.32 499.3256226 0.08 502.2838745 0.38 508.5149841 0.12 512.3761597 0.23 515.6826172 0.43 521.5040283 0.66 522.5087280 0.27 533.0294800 0.25 542.5629883 0.22 552.1899414 1.18 558.9250488 0.94 560.3884277 0.13 584.1221924 0.29 585.5124512 0.87 586.9774780 0.44 587.6981812 0.49 591.4750977 0.18 592.0886841 0.40 594.2525635 0.72 600.2916870 0.40 612.0065918 0.27 631.3597412 0.61 639.3800659 0.22 651.4076538 0.46 652.2950439 0.36 653.0438232 0.53 655.3869019 0.25 662.4656372 0.69 695.3545532 0.45 704.4127197 0.75 711.2546997 0.15 716.4483643 0.51 717.6819458 0.40 734.1273193 0.69 737.4135742 0.71 744.9226074 0.44 762.7389526 0.27 769.4423218 0.24 772.4496460 0.17 791.0678711 0.83 801.6514893 0.23 811.7593994 0.82 821.4824219 1.64 830.5239258 0.24 831.1696777 0.37 834.2773438 0.20 836.3073730 0.95 837.6849365 1.30 845.3476562 1.98 853.3065186 0.77 855.3691406 2.06 857.2854004 0.13 862.5678711 1.36 874.5130615 0.62 876.9531250 0.17 878.5039062 1.49 884.4600830 0.49 888.8585205 1.09 890.1082764 0.73 893.6363525 0.56 901.3975830 0.24 903.0998535 0.51 904.1671143 1.68 907.6667480 0.90 908.4658203 0.18 909.5306396 2.02 911.2718506 1.22 912.1654053 2.55 913.1374512 0.51 914.2993164 1.84 917.2082520 0.17 918.5321045 0.93 919.3076172 0.44 921.0260010 1.19 922.1501465 1.63 923.4151611 0.72 924.5419922 1.00 925.8364258 3.30 926.5667725 0.63 930.1960449 1.42 931.0830078 1.36 933.5155029 1.94 934.7867432 0.50 935.7652588 5.06 937.2210693 6.38 938.1436768 3.04 938.9465332 0.85 939.9565430 1.98 941.6705322 4.10 942.2818604 0.65 943.2999268 0.95 944.4116211 1.21 945.5367432 1.25 946.5087891 6.65 947.8359375 1.90 948.4589844 2.10 949.3051758 1.36 950.0534668 1.32 951.7646484 3.80 952.5246582 4.77 954.4031982 1.25 955.3164062 2.84 956.2312012 1.53 958.0966797 8.27 958.9996338 3.39 960.6572266 6.26 963.1728516 5.13 964.9072266 1.93 965.7863770 1.00 966.9475098 2.71 967.8100586 5.55 968.4704590 1.99 969.9367676 10.02 970.7443848 4.29 971.7003174 0.92 972.9106445 6.11 973.9577637 18.84 975.6806641 14.63 976.5649414 5.67 977.3975830 1.87 978.2727051 1.37 979.5360107 6.50 980.2852783 1.35 980.9135742 3.04 982.4020996 8.68 983.3217773 6.68 984.4938965 4.33 985.4371338 4.00 986.5078125 9.15 987.3969727 2.81 989.1634521 17.69 990.4566650 9.02 991.3684082 4.43 992.2363281 17.25 993.0170898 15.58 994.5242920 24.41 995.4201660 30.03 996.3170166 2.18 997.0205078 6.69 997.9182129 0.31 999.2922363 3.96 1000.0046390 1.83 1000.9770510 14.56 1001.6958010 13.57 1002.9139400 22.83 1003.8477780 7.94 1005.1713870 2.11 1006.2353520 8.98 1007.0883790 5.16 1008.6359860 4.89 1009.3182370 8.52 1010.1994630 2.47 1011.6772460 10.29 1012.5048830 11.16 1013.3343510 4.74 1014.4582520 18.13 1015.5285640 36.97 1016.6862790 14.04 1017.5251460 4.23 1018.1301270 24.23 1018.8186040 39.74 1019.7756350 3.72 1021.2465820 10.04 1022.0148930 41.63 1022.6760250 13.91 1023.8750000 48.33 1024.5545650 39.06 1025.4281010 5.39 1026.1197510 3.13 1027.6375730 100.00 1028.4305420 87.79 1029.7229000 2.70 1030.5443120 5.70 1031.4053960 7.71 1032.0880130 6.14 1032.6943360 0.87 1033.4028320 3.72 1034.2249760 69.59 1035.2043460 4.71 1037.1184080 19.68 1037.7972410 18.73 1038.6699220 1.32 1039.6075440 10.72 1040.5220950 3.03 1041.6378170 0.16 1042.7640380 0.71 1076.4046630 0.35 1081.7028810 0.90 1087.6695560 0.98 1091.2500000 2.31 1092.5531010 1.10 1097.0389400 0.85 1097.9117430 0.57 1099.4112550 0.93 1100.8631590 0.40 1106.0048830 0.70 1107.1950680 0.96 1108.5786130 0.48 1111.0693360 1.60 1111.7600100 0.91 1112.4514160 0.45 1113.4904790 1.46 1116.1818850 0.74 1118.2059330 1.41 1121.1442870 0.63 1122.0253910 0.45 1124.8049320 0.38 1130.1052250 0.99 1133.9384770 1.66 1136.4228520 0.55 1141.6962890 2.84 1144.3753660 0.77 1149.5841060 0.86 1156.3105470 1.35 1159.5893550 0.41 1161.7202150 0.82 1164.8292240 1.08 1171.6225590 1.29 1176.0546880 0.53 1178.6213380 0.43 1180.7932130 0.67 1183.4860840 0.50 1187.6457520 2.00 1188.5605470 0.41 1190.0753170 0.11 1190.6776120 0.57 1191.8870850 1.43 1193.3640140 0.12 1196.5898440 0.92 1199.2891850 0.71 1199.9335940 0.59 1201.1293950 2.90 1202.6585690 1.02 1215.3702390 1.81 1216.8601070 2.33 1217.6376950 0.97 1220.1358640 1.17 1222.8239750 0.19 1223.6345210 0.35 1224.3177490 0.21 1228.4726560 1.40 1229.2720950 0.37 1230.2651370 0.27 1233.5085450 1.73 1235.0479740 3.17 1246.9666750 0.71 1248.6229250 0.79 1249.9448240 0.39 1252.3784180 0.41 1253.2617190 2.01 1255.1918950 0.91 1257.0151370 0.18 1259.7867430 3.15 1260.4517820 0.51 1261.4885250 1.39 1262.7146000 0.52 1264.7353520 1.74 1267.6953120 2.70 1269.3015140 2.32 1271.5695800 4.18 1272.4150390 2.58 1273.2885740 2.10 1274.7105710 0.95 1275.4665530 1.67 1277.2290040 3.86 1278.2830810 2.57 1279.0495610 0.71 1280.4245610 2.61 1281.2144780 0.59 1281.8818360 0.39 1283.2744140 2.32 1284.1457520 2.73 1285.4349370 0.62 1288.9338380 0.31 1290.8531490 1.22 1293.6744380 15.06 1294.7109380 2.85 1298.8812260 0.39 1300.3786620 2.24 1301.5240480 2.43 1302.3438720 1.85 1303.5133060 1.76 1304.3706050 1.75 1306.5968020 3.39 1307.6131590 1.46 1310.1568600 0.67 1311.1324460 2.69 1312.0579830 1.39 1312.8897710 1.01 1314.4508060 0.93 1316.9676510 0.43 1317.6666260 1.73 1319.0267330 2.92 1319.7878420 0.48 1321.2473140 0.48 1322.1634520 0.61 1323.2159420 2.20 1324.0572510 0.90 1324.7183840 1.14 1325.6346440 1.36 1326.5743410 1.18 1327.2955320 1.92 1328.5684810 0.52 1329.9401860 3.15 1331.7786870 1.64 1333.5262450 2.11 1335.1745610 4.63 1335.9088130 2.70 1336.9843750 0.34 1338.3105470 2.68 1339.0684810 1.28 1339.7230220 0.26 1341.6202390 2.52 1342.5599370 1.20 1343.2618410 0.41 1344.3323970 3.11 1345.0211180 2.10 1346.7258300 1.54 1348.6395260 0.71 1349.2694090 0.63 1350.5728760 0.94 1351.5970460 3.05 1353.2772220 0.63 1354.2523190 1.26 1356.3548580 0.45 1357.2349850 1.82 1358.5640870 0.48 1361.0299070 0.40 1362.8204350 1.02 1363.9443360 2.86 1364.7747800 3.03 1365.9119870 1.67 1366.6275630 0.52 1367.4178470 0.84 1369.5295410 4.44 1370.2619630 1.78 1370.8963620 3.81 1372.0400390 4.24 1372.6461180 2.89 1374.0979000 2.77 1375.4024660 2.43 1376.1226810 2.66 1377.5516360 1.89 1378.9036870 19.44 1379.6721190 4.73 1380.9022220 5.03 1382.1215820 4.27 1382.8015140 1.29 1384.3666990 4.20 1386.5040280 1.19 1387.9703370 6.70 1388.6939700 0.14 1389.7833250 1.96 1391.0318600 0.85 1391.8383790 0.57 1393.3763430 1.17 1394.1203610 0.55 1395.6431880 1.09 1396.3940430 0.26 1397.6314700 3.93 1398.2354740 0.94 1399.4256590 5.60 1400.9136960 0.64 1402.4000240 4.65 1403.4128420 2.93 1405.1942140 0.56 1406.8940430 4.97 1407.6583250 2.75 1408.6862790 1.23 1410.8416750 2.56 1411.7572020 0.31 1412.9239500 0.63 1414.1585690 1.67 1414.8731690 2.07 1416.0201420 0.35 1416.8909910 1.15 1417.7066650 0.66 1418.6737060 1.58 1420.1468510 8.12 1420.8735350 2.10 1422.0788570 0.62 1423.0644530 3.23 1424.5013430 0.93 1427.2277830 4.82 1427.9300540 3.28 1428.8697510 1.12 1429.7044680 0.61 1431.4998780 3.87 1432.4322510 0.46 1434.4171140 0.50 1435.1541750 0.58 1436.4647220 22.29 1437.1636960 10.08 1437.9549560 5.92 1439.2374270 2.50 1440.2258300 1.04 1442.1166990 0.43 1442.7288820 1.35 1443.8139650 0.31 1444.7424320 4.86 1445.7912600 0.32 1446.7774660 5.05 1448.2034910 1.96 1449.2872310 2.40 1450.6574710 2.14 1451.8179930 6.02 1453.3135990 5.51 1454.3358150 7.85 1455.3582760 6.43 1456.7714840 1.93 1457.8823240 1.18 1458.5061040 1.80 1459.5294190 3.56 1460.4029540 10.09 1461.3959960 9.31 1462.3614500 1.41 1462.9642330 1.56 1463.6173100 5.74 1464.3956300 0.45 1465.7352290 5.52 1466.7081300 4.65 1468.0101320 2.49 1469.6895750 1.39 1470.8870850 2.80 1472.0540770 2.93 1473.1680910 1.32 1474.4285890 1.46 1475.4510500 1.07 1477.5454100 0.11 1478.1892090 2.70 1479.1827390 2.77 1480.0541990 1.71 1481.2183840 1.32 1482.0671390 2.72 1482.7050780 5.44 1483.5764160 0.47 1484.4908450 1.56 1485.2792970 0.48 1486.9927980 4.21 1488.2033690 4.89 1489.4873050 9.46 1490.3287350 2.64 1491.5413820 17.51 1492.4403080 11.88 1493.2886960 0.38 1495.6099850 5.08 1496.5633540 3.44 1497.6651610 1.46 1499.6676030 1.40 1501.2729490 8.66 1502.2028810 2.16 1502.8848880 1.05 1505.1824950 0.43 1508.8479000 4.55 1509.7518310 2.45 1513.7230220 0.22 1516.1734620 0.77 1516.9157710 0.39 1518.0562740 1.38 1524.4888920 4.94 1525.8444820 2.43 1534.0299070 0.42 1535.6712650 1.23 1545.6314700 0.14 1565.7464600 0.65 1568.8770750 0.29 1576.7961430 0.40 1593.0688480 0.34 1597.6507570 0.68 1599.5288090 0.66 1623.4990230 0.17 1639.5712890 0.67 1640.8724370 0.76 1647.9556880 0.17 1654.0631100 0.21 1669.1428220 0.63 1730.7233890 0.33 1754.5300290 0.35 1755.8616940 0.49 1785.8668210 1.25 1793.5567630 0.24 1825.4427490 14.51 1827.6024170 0.19 1846.9954830 0.16 1901.0588380 0.78 1928.3516850 0.41 1935.1666260 0.19 1941.0518800 0.98 1958.7487790 0.28 1982.9187010 0.18 1989.9232180 0.42 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 629.2112 Annotation Unknow Peak:m/z Relative Intensity 241.1160583 1.56 257.0942383 2.02 257.7709656 0.10 259.0386353 0.68 260.0156250 0.09 285.2851257 0.11 305.5661621 0.04 327.2135010 0.14 353.0541992 0.79 367.2530518 0.07 379.2703247 0.15 381.2824097 0.65 387.0770874 0.04 395.2057495 1.31 396.3823242 0.16 407.3062744 0.92 408.0495605 0.19 421.2813721 0.14 422.4657593 0.19 423.3554688 0.13 435.1890869 0.50 436.2656860 0.20 449.2593994 6.95 451.2003784 100.00 452.2616577 15.19 467.2523193 12.40 468.2988281 1.16 469.1073608 0.08 509.3684082 0.36 513.5020142 0.03 539.3334351 0.66 540.3860474 0.06 569.5299683 0.04 587.7255249 0.07 597.3806763 0.05 599.5969238 0.04 611.3453979 1.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1018.4567 Annotation Unknow Peak:m/z Relative Intensity 283.1937866 0.12 284.1282959 0.03 296.3154907 0.18 298.0205078 0.06 299.1184082 0.05 300.0107422 0.07 305.2977295 0.02 312.2979431 0.27 313.3078308 0.11 314.3493652 0.05 316.5514832 0.04 317.2250366 0.05 318.3852844 0.03 324.0704346 0.03 329.2532654 0.08 332.3099060 0.03 333.1932678 0.03 334.0495300 0.03 335.5817871 0.14 336.2216492 0.69 337.1806641 0.17 341.2899170 0.32 342.1620789 0.10 343.6118164 0.05 348.3666992 0.16 351.0916138 0.03 352.1536865 0.07 353.2365112 0.05 355.0214233 1.07 356.3903198 1.06 358.2347412 0.09 359.3391113 0.03 362.2315063 0.06 365.9587097 0.11 371.4437561 0.12 372.1987915 0.46 373.1152649 0.04 379.3316040 0.08 381.7895508 0.04 384.6264954 0.07 389.5466919 0.11 390.4549561 0.11 392.4029846 0.08 394.1311646 0.12 398.1597290 0.07 399.4205017 0.17 400.1054688 0.16 400.9330750 0.16 402.3182373 0.06 403.3666382 0.08 405.6462402 0.10 406.4948730 0.27 410.6785583 0.32 411.5131226 0.05 416.2646179 2.00 417.3388977 0.55 419.1857605 0.06 419.9614868 0.02 425.4742737 0.02 427.2621155 0.38 428.4071045 0.21 430.4548645 0.15 433.5088196 0.07 437.7106323 0.07 438.3330078 0.13 439.1271973 0.05 440.3062744 0.31 441.3662720 0.08 442.3666992 0.73 443.3776855 0.26 444.2721558 0.04 446.3121643 0.24 447.3278809 0.07 448.4168091 0.04 449.3106689 0.04 450.9888000 0.04 452.5988159 0.04 453.3048706 0.05 455.5189514 0.49 457.2163391 0.14 458.4652710 0.48 461.5226440 0.05 464.7341309 0.06 466.6782837 0.05 468.3965759 0.04 470.3790283 0.07 472.1599121 0.25 473.4039612 3.57 474.4066162 1.26 475.2282715 0.22 477.3022156 0.06 478.3151245 0.02 481.6036072 0.02 482.4801636 0.03 483.2868652 0.18 484.3805847 0.18 485.0749512 0.01 489.9710693 0.20 491.2230530 0.25 492.5417480 0.07 493.4192505 0.07 494.1279297 0.14 496.2890320 0.06 497.3458862 0.07 498.3268738 0.09 499.4167480 1.12 500.2958374 0.40 501.4605408 0.04 502.5356445 0.23 503.4368896 0.05 508.7557068 0.03 509.5148926 0.15 510.6859741 0.16 511.4938049 0.11 512.4832153 0.06 513.4858398 0.19 514.4799805 0.25 516.8739014 0.12 518.5582886 0.30 519.5154419 0.10 520.5591431 0.03 524.5317993 0.02 527.3814697 0.38 528.3178101 0.28 529.1534424 0.19 530.3018799 0.03 531.7459717 0.02 532.8061523 0.10 533.5521240 0.04 534.2292480 0.23 535.4002075 0.21 536.2024536 0.10 537.3710938 0.19 539.3652344 0.74 540.3237915 4.66 541.4421387 1.06 542.4589844 0.11 543.5302734 0.08 544.2521973 0.42 546.4267578 0.10 547.5695801 0.02 548.3987427 0.06 549.6335449 0.21 552.3647461 2.58 553.3732910 0.91 554.6276855 0.04 555.4742432 0.03 556.4525146 0.10 557.7390137 0.29 558.5172119 0.08 559.4706421 0.10 560.4989014 0.08 561.3693848 0.23 562.3691406 0.32 563.4838257 0.06 564.3618164 0.13 567.2926025 0.14 568.2442627 0.04 570.3923340 1.44 571.3189697 0.55 573.5300293 0.02 575.4227295 0.06 576.2565918 0.53 577.1264038 0.33 577.7657471 0.03 578.4058838 0.51 579.5216064 0.08 580.5941162 0.06 583.5145264 0.29 584.4960938 0.54 585.5205078 0.10 586.4474487 0.06 587.5516357 0.32 588.6085205 0.17 589.5162354 0.32 590.4420166 0.24 591.4862061 0.12 592.6878052 0.07 594.0275269 0.23 595.5286865 0.20 598.4841309 0.09 599.4165039 0.71 600.4078979 1.22 601.4429932 1.35 602.3785400 0.35 603.6459961 0.31 605.1213379 0.04 606.4985962 0.14 607.4371338 2.88 608.4038696 1.65 611.3916016 0.03 616.2717285 0.34 617.3024902 0.25 618.3652344 4.84 619.4373779 1.55 620.4984131 0.65 621.4549561 0.09 624.6392822 0.05 631.6445923 0.15 632.4896240 0.10 633.8248291 1.13 634.4699707 9.28 635.4487305 3.51 636.2680664 0.27 638.4050293 0.87 639.5642700 0.11 640.4355469 0.03 641.3845825 0.31 642.3234863 0.21 643.4086914 0.06 644.2779541 0.25 646.3695068 18.81 647.4359131 8.15 648.6570435 0.42 649.5609131 0.32 650.6140137 0.46 651.6326904 0.17 652.3385010 0.06 654.3398438 0.09 655.5725708 0.23 656.4130859 0.35 657.4356689 0.20 658.2067871 0.37 659.3883057 7.66 660.4074097 3.13 661.4555664 1.22 662.4047852 2.42 663.4932861 0.91 666.4232178 0.10 667.2700195 0.40 668.5101318 0.08 670.2805786 0.04 673.5527954 0.36 674.5184937 0.20 677.4135742 0.08 678.4979248 0.75 679.4857178 0.50 684.5573730 0.09 685.5535889 0.08 686.2108154 0.08 687.3493652 0.36 689.5244751 0.27 690.3707275 0.27 691.4422607 0.02 692.7381592 0.21 693.5419922 0.09 694.4124756 0.13 695.4313354 0.30 696.4328613 4.31 697.2706909 1.56 698.1161499 0.07 701.9029541 0.13 703.5751953 0.14 704.7587891 0.08 705.5338745 0.03 708.5718994 0.16 710.5093994 0.43 711.6071777 0.24 713.3748779 5.99 714.3951416 3.09 715.1577148 0.06 719.1027832 0.13 720.6209717 0.30 721.5657959 0.18 727.1759033 0.08 728.7763672 0.02 731.4986572 0.61 732.4172974 0.07 737.3269653 0.41 738.4940186 1.43 739.5184326 0.40 747.0672607 0.04 748.4442139 0.85 749.7728271 0.31 753.3845215 0.08 755.3670654 8.39 756.5158691 3.49 757.7633057 0.23 758.9620361 0.45 760.4376831 0.07 762.1366577 0.07 772.5946045 0.57 773.5017090 0.99 774.4569092 0.54 775.5193481 0.02 776.5459595 0.10 777.6199341 0.16 781.2232666 0.02 782.8143311 0.18 783.5335693 0.39 784.5611572 0.02 786.4393311 0.15 787.2885742 0.03 788.2840576 0.02 790.4816895 6.57 791.4587402 2.96 792.3676758 0.11 793.4729004 0.14 794.5914307 0.07 795.4887695 0.03 797.5958252 0.09 800.5511475 0.40 801.3597412 0.12 802.0765381 0.02 804.1184082 0.15 804.7846680 0.05 805.8251953 0.06 808.7558594 0.04 809.5157471 0.11 810.3723145 0.07 811.0546875 0.06 811.6610107 0.22 812.6785889 0.05 815.8250732 0.08 817.5454102 0.26 818.6950684 0.51 819.7125244 0.09 822.2459717 0.13 823.4206543 0.17 831.4041748 0.04 832.4779053 0.08 835.3930664 0.60 836.3051758 0.71 838.4227295 0.03 839.5551758 0.28 840.5895996 0.21 841.8741455 0.14 842.6842041 0.08 845.1091309 0.16 846.7683105 0.06 848.2897949 0.44 849.0759277 0.33 849.7872314 0.12 853.2901611 0.19 854.6240234 0.52 855.4001465 0.16 856.5185547 0.02 857.3925781 1.46 858.3780518 0.94 859.3243408 0.35 860.4489746 0.37 864.4693604 0.19 865.2509766 0.04 867.4090576 0.04 871.9373779 0.03 874.2319336 0.07 877.8967285 0.13 879.3464355 0.15 880.2246094 0.03 881.4824219 0.12 883.3646240 0.61 884.3922119 1.18 885.2760010 0.60 890.3177490 0.08 893.7307129 0.12 895.3669434 0.10 896.4228516 0.59 897.4667969 0.25 899.6851807 0.27 900.6917725 0.09 901.3728027 4.47 902.4188232 2.51 906.8596191 0.04 907.6068115 0.03 909.9355469 0.30 910.9349365 0.03 911.6695557 0.03 916.2158203 0.02 918.5234375 0.34 920.2604980 0.04 927.9016113 0.25 928.6096191 0.56 929.6407471 0.30 930.3363037 0.02 935.4346924 0.42 936.5937500 0.15 941.5026855 0.41 942.4345703 0.27 952.5289307 4.40 953.5168457 3.42 954.5876465 0.53 955.5437012 0.04 956.3341064 0.17 958.4349365 1.64 959.4472656 0.75 965.4755859 0.31 966.4860840 0.24 970.4902344 13.51 971.6213379 7.04 974.5836182 0.22 976.5291748 23.51 977.5062256 14.94 978.1071777 0.33 983.4631348 2.24 984.5607910 0.78 1000.9274900 34.75 1001.5604250 100.00 1002.4626460 67.86 1003.1147460 0.66 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 727.1924 Annotation Unknow Peak:m/z Relative Intensity 209.2855682 0.09 211.2359772 0.04 213.0286102 0.05 217.2139435 0.21 222.9155579 0.05 240.9916382 0.06 255.0996399 0.09 267.0786133 0.16 271.0425415 0.08 285.5820312 0.15 298.8508301 0.13 300.6031494 0.12 303.0606079 3.73 304.2354736 0.40 321.1360474 5.89 322.2185669 0.99 323.5836792 0.44 327.1807861 0.16 339.3112183 0.33 345.3182373 0.75 346.3596802 0.47 362.9041748 0.19 387.0709839 8.25 388.0239868 0.55 397.3923340 0.15 399.3984375 0.08 405.1468506 7.31 406.0944824 0.65 433.2565918 0.15 461.2077026 0.40 491.9706421 0.04 521.1417847 0.82 551.3211060 0.22 563.2953491 0.80 564.1916504 0.17 564.9854126 0.15 569.1510620 0.39 581.1668701 3.02 582.0898438 0.08 595.4791870 0.07 596.5175171 0.10 623.2066650 10.68 624.2162476 3.38 650.3681641 0.11 652.5950317 0.06 665.0015869 0.38 667.2236328 1.00 668.3190918 0.15 680.5737915 0.24 683.4523315 0.15 685.2444458 1.80 686.3958130 0.46 691.1442871 0.05 706.0854492 0.13 709.2440796 100.00 710.2913208 25.69 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 461.1661 Annotation Verbasoside Peak:m/z Relative Intensity 133.1529541 0.05 134.1729736 0.09 135.0128632 0.11 149.1258545 0.16 153.2028503 0.07 159.9270935 0.26 160.8599243 0.06 162.0214081 0.05 175.1044312 0.41 176.1955566 0.55 177.1892090 0.12 178.3854980 0.05 191.0941467 0.04 193.1153564 1.72 194.1825562 0.94 195.0677795 0.20 208.1105194 0.05 219.7758789 0.10 233.1211548 0.03 236.1872253 0.05 241.2750092 0.02 248.9183350 0.14 265.0676270 0.08 269.3356934 0.12 279.0432739 0.02 280.9373779 0.29 285.0565186 0.19 292.1235352 0.07 293.3296814 0.04 296.4202881 0.06 297.1384277 0.02 300.0875244 0.08 307.3712158 0.02 312.9564209 0.13 323.4508057 0.12 328.7210693 0.17 329.4282837 0.25 332.1512451 0.09 336.3462524 0.09 338.2028809 0.14 341.5023193 0.03 349.4835815 0.02 355.0853882 0.14 359.1765137 0.02 363.2855835 0.05 370.8244629 0.06 373.0379333 0.24 373.9024048 0.15 377.2921448 0.04 383.4358826 0.11 387.3968811 0.24 397.4934998 0.06 399.2933350 0.16 400.5576477 0.06 409.4168091 0.04 413.2815552 0.08 415.2478333 100.00 415.8485718 0.41 417.1995544 0.32 428.4447327 0.07 429.3261719 0.13 430.5886841 0.14 442.1569519 0.05 443.3335876 0.16 445.5327759 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 429.1763 Annotation Phenethyl rutinoside Peak:m/z Relative Intensity 125.0198212 0.46 130.9963837 0.44 132.0146179 0.10 132.9934845 0.03 134.8384094 0.29 143.0363770 2.75 143.9116821 0.05 148.8889771 0.87 159.2763367 0.11 161.0878296 15.48 162.1149597 1.11 171.2558289 0.10 179.0388184 12.57 179.9409485 0.50 185.1103516 0.26 185.9714966 0.22 187.1799622 1.44 188.0939331 0.14 203.2531891 0.24 205.0764618 39.72 206.1520386 3.93 223.2319641 0.46 224.4525757 0.04 229.1676941 1.15 230.1469421 0.03 230.9191742 0.19 232.2306213 0.03 241.2018127 0.18 246.9184265 0.07 247.5256958 0.08 249.1069031 100.00 250.2319336 8.18 253.4126892 0.10 259.1436157 0.09 267.1394653 0.67 268.0098877 0.08 270.9484863 0.04 273.1721497 0.04 307.0462646 0.05 330.0809326 0.12 337.1105957 0.03 339.2281494 0.03 340.3655090 0.04 343.3831787 0.13 351.0627441 0.04 353.2109070 0.04 367.5647888 0.12 368.3088989 0.08 369.0975037 0.05 382.2897034 0.08 383.1768494 0.03 385.1647644 12.11 386.3091431 1.11 401.4587708 0.06 411.1654053 0.91 412.0926819 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 565.2499 Annotation Unknow Peak:m/z Relative Intensity 175.0176697 0.03 211.2115784 0.03 228.3340759 0.01 243.0689697 0.01 257.3096313 0.03 293.2108765 0.03 313.5393066 0.02 316.3740234 0.05 321.2835693 0.02 323.4088745 0.02 335.3726807 0.01 336.3756104 0.02 355.3226318 0.05 383.5056763 0.01 385.3500366 0.48 386.8073730 0.01 389.5219727 0.01 393.1668701 0.02 398.0961304 0.01 401.7026367 0.03 403.2743530 0.13 404.5906372 0.04 420.2785034 0.03 428.6799316 0.01 434.7269897 0.03 436.3437500 0.06 445.2951050 0.04 446.3516846 0.01 447.4363403 0.03 479.4445190 0.05 480.5367432 0.03 484.2077637 0.01 503.4835205 0.03 504.2427979 0.02 505.8443604 0.09 506.5807495 0.02 517.3081055 0.07 519.3078613 100.00 520.3790894 0.56 521.2334595 0.01 522.2965088 0.17 530.2117310 0.02 533.2376099 0.62 534.2000122 0.06 547.2274170 0.18 547.9749146 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 464.74 Annotation Unknow Peak:m/z Relative Intensity 250.9377136 0.27 252.8930359 0.76 290.9567566 0.29 293.2100525 0.31 294.7490845 0.14 297.0581970 0.10 322.9000854 0.32 335.0574036 0.05 336.1445312 0.26 372.6784973 0.07 378.9797974 0.74 380.7125244 14.27 381.4284973 0.21 388.9910583 0.25 390.9634705 0.45 396.9484253 0.14 405.1956177 0.04 418.7510681 100.00 419.4632874 0.15 432.9451599 0.37 441.0622864 0.30 445.9714661 0.20 447.0381165 0.20 464.5936584 1.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1117.0797 Annotation Unknow Peak:m/z Relative Intensity 322.3294067 0.14 343.2574463 0.35 369.9442139 0.64 383.4574585 0.22 391.2068481 0.48 400.6815491 0.41 410.8814392 0.76 439.7083740 0.04 440.8031616 0.07 446.5961304 0.59 448.4519348 0.11 453.0099792 0.53 455.3218994 1.45 455.9365234 0.47 458.2520142 0.05 469.3518677 0.33 472.0999146 0.25 475.5175781 0.14 479.4188843 0.25 489.4815674 0.15 500.2183228 1.90 505.1463013 1.15 510.0213318 0.69 511.5314026 0.43 519.0699463 4.33 520.5023804 0.12 545.3917236 0.24 551.6812744 0.09 554.6168823 1.99 555.6553345 0.39 557.1903076 0.20 560.0889893 0.82 568.3262939 1.51 568.9899902 1.01 572.4542847 0.12 576.5312500 0.38 578.0344238 0.15 582.7318726 0.24 583.5133057 0.43 584.7615967 0.12 597.5596924 0.13 606.2497559 0.19 611.6445312 0.08 616.9901123 0.34 618.8249512 0.25 620.5880127 0.61 623.5294189 0.09 624.2218018 0.19 626.1854248 11.18 627.1375732 4.72 628.5354004 0.06 629.4943848 0.16 659.7888184 0.51 665.4060059 0.31 669.4436646 0.55 670.7540283 0.33 683.3943481 0.33 686.5535889 0.16 694.4826050 0.30 699.3490601 0.15 702.6535034 0.22 704.4901733 0.14 705.5313721 0.07 707.7140503 0.19 709.5516968 0.33 710.6989746 0.69 711.8139648 0.23 712.6891479 0.69 729.6591187 0.10 733.3839722 1.11 738.5620728 0.42 752.7160034 0.39 753.6016235 0.19 754.7036743 0.10 755.5655518 0.11 756.6813965 0.27 759.5860596 0.05 763.8942871 0.27 765.4528198 0.26 768.7722168 1.35 769.5373535 0.69 770.3143311 0.09 778.5568848 0.51 782.4227905 0.52 783.8222656 0.31 791.7316284 0.30 792.6157227 0.37 796.5922241 0.15 802.0695190 0.04 804.6893311 0.66 806.5715332 0.14 809.4012451 0.99 810.5023193 0.21 811.6909180 0.42 812.8995361 0.64 813.8328857 0.06 814.5180664 0.67 818.6269531 0.37 821.5900879 0.06 826.0446777 6.03 826.8946533 2.91 827.6003418 0.14 828.5308838 0.32 830.1030273 0.27 837.5727539 0.69 838.4799805 0.97 839.1872559 0.11 839.9869385 0.43 841.6800537 0.31 859.7416992 0.34 866.9114990 0.31 872.6219482 0.85 880.8597412 0.23 885.6688232 0.52 887.3355713 0.46 894.8052979 0.19 901.6022949 0.43 905.3096924 0.15 908.8199463 0.75 910.9205322 0.22 919.4886475 0.46 920.6239014 0.56 921.6337891 0.11 923.7640381 0.40 924.5434570 0.28 928.4958496 0.99 929.1446533 0.19 930.2121582 0.07 931.8352051 0.21 933.6787109 0.09 936.5114746 0.32 937.7596436 1.26 938.7088623 0.15 939.7500000 0.51 940.9237061 0.21 954.6990967 0.50 959.2912598 0.65 964.9432373 0.91 965.7476807 0.19 973.6802979 0.53 975.5123291 0.44 976.2655029 0.42 979.8831787 0.17 982.5983887 0.06 987.8525391 0.38 994.8043213 0.52 996.0430908 0.20 1007.6313480 0.37 1009.0008540 0.45 1009.7768550 0.22 1012.0395510 0.20 1014.5887450 0.15 1020.9259030 0.19 1025.0253910 0.08 1028.3400880 0.40 1031.7028810 0.69 1036.8071290 3.95 1037.7277830 0.86 1038.9340820 0.96 1040.0549320 0.13 1041.8309330 0.56 1043.0512700 0.06 1049.4385990 0.70 1052.1696780 0.52 1056.8531490 0.23 1057.9497070 3.43 1058.6990970 0.32 1060.2310790 1.60 1061.4851070 1.91 1062.3714600 0.67 1063.9038090 1.00 1064.9418950 0.05 1065.7692870 4.35 1066.5830080 0.38 1067.3615720 0.30 1068.8447270 2.58 1069.5786130 4.38 1071.2078860 0.76 1072.3208010 1.14 1074.7452390 1.47 1075.4240720 1.75 1076.9042970 0.19 1077.8620610 0.70 1079.9639890 1.28 1081.3986820 1.10 1082.2059330 0.74 1083.0842290 0.88 1084.2608640 0.23 1085.8383790 0.63 1087.5917970 2.35 1089.2712400 15.93 1089.9541020 0.09 1091.1545410 6.47 1091.8867190 0.56 1092.6669920 0.56 1094.6254880 23.36 1095.6262210 2.73 1097.1560060 0.22 1098.5808110 2.45 1099.6672360 0.32 1100.8580320 0.34 1101.5369870 0.10 1106.4289550 0.16 1107.2396240 0.37 1107.8967290 0.71 1129.6822510 0.48 1130.7490230 0.27 1135.9605710 1.29 1136.9528810 0.63 1137.7609860 0.15 1149.5012210 0.44 1151.5058590 0.27 1153.6097410 0.52 1154.4647220 0.32 1157.8356930 0.46 1159.0449220 0.24 1160.7791750 1.31 1166.1206050 1.25 1167.4744870 0.14 1171.1701660 0.24 1175.4454350 0.07 1177.8507080 0.53 1180.0346680 0.54 1181.6250000 0.50 1187.1013180 0.23 1190.7281490 1.27 1191.6530760 0.22 1194.4377440 0.55 1199.9743650 1.62 1205.1602780 0.13 1208.8571780 0.50 1209.7023930 0.42 1212.5816650 0.05 1223.2257080 0.90 1230.2773440 1.92 1232.6282960 0.05 1237.1740720 0.51 1242.9953610 0.05 1244.3044430 0.76 1245.8421630 0.05 1250.8930660 0.29 1252.5043950 0.27 1255.3038330 0.91 1259.8922120 0.78 1266.6265870 0.23 1272.8239750 0.13 1273.5966800 0.33 1275.6525880 0.04 1276.3256840 0.09 1279.3760990 2.69 1280.1005860 0.11 1282.0407710 2.26 1282.7440190 0.34 1283.3840330 0.22 1286.8756100 0.99 1290.7528080 0.32 1291.9580080 0.98 1293.8122560 2.06 1296.7376710 1.03 1297.5646970 1.10 1298.4836430 0.50 1299.8920900 1.89 1300.8769530 0.75 1302.3222660 3.43 1303.1910400 2.75 1304.5878910 2.16 1305.9626460 0.49 1306.6682130 0.56 1307.7593990 1.11 1308.4599610 2.34 1309.1707760 1.03 1309.9263920 1.18 1311.2500000 12.24 1312.0515140 7.82 1313.1331790 2.61 1314.0483400 2.07 1314.6715090 0.59 1315.6049800 0.45 1316.2352290 1.49 1318.0327150 2.98 1318.9195560 7.10 1319.7923580 0.24 1324.4168700 0.23 1326.1274410 2.05 1328.6049800 0.44 1329.3933110 1.31 1330.1429440 0.24 1332.0246580 2.71 1333.2043460 0.29 1335.6668700 9.28 1336.3531490 7.17 1337.2530520 0.55 1337.9407960 1.07 1339.0334470 3.58 1342.3829350 1.34 1343.4957280 10.62 1344.1514890 1.00 1349.8431400 3.46 1350.5477290 4.84 1351.1893310 0.99 1356.3394780 0.39 1357.2879640 2.32 1358.2419430 0.66 1359.3236080 1.72 1360.9852290 4.60 1361.7562260 0.67 1363.0914310 2.23 1363.7905270 11.60 1364.6109620 2.51 1365.2948000 0.57 1367.5634770 20.73 1368.3017580 100.00 1369.8681640 1.00 1370.9953610 0.38 1373.5776370 0.92 1379.9979250 0.14 1388.1802980 0.19 1391.4918210 0.39 1393.0374760 0.93 1394.1916500 0.14 1395.5220950 0.40 1397.3520510 0.57 1401.7386470 0.20 1405.9128420 0.23 1407.7777100 0.27 1408.6063230 0.26 1412.4864500 0.40 1422.0588380 0.15 1428.0172120 0.11 1431.1585690 0.28 1433.5737300 1.03 1435.5242920 1.04 1438.0308840 0.18 1439.2751460 8.57 1440.1385500 2.78 1440.9991460 0.53 1444.6241460 8.46 1445.5513920 79.72 1446.9694820 1.43 1447.9804690 0.29 1448.6856690 0.29 1451.9371340 0.16 1455.1347660 0.25 1462.6300050 0.67 1463.8802490 2.34 1464.7500000 0.37 1466.0660400 0.21 1469.6398930 0.76 1471.5144040 1.67 1472.3533940 1.74 1473.2891850 1.53 1478.0385740 23.60 1478.8918460 13.18 1479.6781010 1.04 1482.2729490 0.40 1491.3002930 0.10 1500.5061040 0.47 1503.3089600 0.11 1510.1138920 0.27 1520.2227780 0.38 1520.9327390 0.11 1521.7821040 0.09 1522.6839600 0.26 1527.2794190 0.58 1535.6009520 0.90 1536.6042480 1.51 1537.2646480 0.08 1538.4251710 0.46 1540.9824220 0.72 1541.9134520 0.94 1547.5760500 0.87 1548.5607910 0.91 1553.5858150 0.54 1555.2047120 1.06 1556.1892090 1.39 1557.1408690 1.65 1557.7706300 0.30 1574.8767090 0.09 1587.5578610 0.74 1611.0969240 0.42 1620.4512940 2.86 1621.0977780 1.96 1621.8768310 0.15 1638.7114260 0.29 1651.3524170 0.21 1663.8111570 0.18 1664.4493410 0.52 1667.1290280 0.59 1672.4056400 0.08 1673.0617680 0.11 1684.3635250 2.07 1685.0377200 1.56 1685.7427980 0.16 1694.4027100 0.12 1704.2175290 0.39 1719.2808840 0.25 1732.8425290 0.41 1739.1571040 0.35 1749.1431880 2.10 1750.1873780 1.53 1758.2733150 0.24 1767.3131100 0.26 1790.1315920 0.49 1798.6878660 1.94 1799.6594240 0.75 1800.2882080 0.49 1829.9504390 0.04 1846.8287350 0.06 1854.2224120 0.18 1855.4068600 0.29 1862.2532960 2.18 1862.9471440 3.38 1863.9351810 1.16 1864.8035890 1.51 1866.0491940 0.17 1880.9803470 0.67 1889.9368900 0.73 1890.9071040 0.54 1892.1085210 0.31 1898.4246830 3.73 1899.2634280 3.16 1899.9954830 0.75 1905.3508300 0.07 1953.2977290 0.64 1958.5704350 0.08 1959.3845210 0.24 1966.6610110 1.67 1967.5397950 2.92 1968.1545410 0.78 1969.1335450 0.55 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1273.55 Annotation Unknow Peak:m/z Relative Intensity 409.6567688 0.22 425.3375854 0.26 439.3079224 0.62 455.5020142 45.23 469.5645447 1.72 499.4901123 0.39 523.5765991 0.19 565.5269165 0.15 583.4697266 0.70 733.0032959 1.35 757.4293213 0.34 764.0243530 0.34 774.8774414 0.74 775.5226440 1.50 819.7288818 0.12 821.3389282 0.54 879.0325928 0.89 879.6444092 2.51 921.3815918 1.91 923.6187744 2.37 925.7924805 0.15 965.5299072 65.21 966.1798096 0.42 967.6358643 14.96 968.3127441 0.27 995.8264160 0.16 997.5546875 0.52 1009.8941650 0.12 1096.8869630 0.54 1105.3381350 0.26 1109.7150880 0.49 1125.4957280 0.20 1141.5482180 1.07 1143.4558110 100.00 1144.1699220 0.13 1183.8125000 0.63 1193.3930660 0.31 1227.1547850 0.11 1229.5156250 13.92 1255.3813480 6.68 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 272.88 Annotation Unknow Peak:m/z Relative Intensity 157.2911682 0.03 158.9668579 0.45 169.0243225 0.03 174.9312592 0.08 188.9732971 0.41 198.1035461 0.09 201.0215454 0.07 201.6256714 0.05 213.0447998 0.01 214.9082642 0.05 217.0513611 0.03 225.1651001 0.02 226.7893372 0.16 228.9114075 100.00 230.9723816 0.12 234.8551025 0.03 242.1452332 0.10 243.0074463 0.18 244.7506104 0.34 247.9005127 0.08 249.7663879 0.02 252.1298828 0.02 254.5830688 0.15 257.6770935 0.05 258.3179932 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1171.4838 Annotation Dihydrobuddlenol B Peak:m/z Relative Intensity 357.1107178 0.13 363.6625977 0.06 439.4937744 3.46 440.5910034 0.42 453.4719238 0.20 481.4449158 0.33 497.4579163 0.18 507.3739624 0.07 511.3157654 0.17 523.7250977 0.07 565.4946289 0.41 584.8326416 0.11 627.0145874 0.27 637.4468994 0.10 669.0460815 0.05 670.3669434 0.05 689.6776733 0.10 731.4604492 1.01 732.3853760 0.38 773.2013550 1.57 793.4885254 0.17 835.5877686 3.00 864.6254883 0.33 893.8480225 0.14 904.1236572 0.10 949.5195312 0.81 950.4881592 0.33 965.8016357 0.08 967.5076904 0.07 989.3182373 0.18 993.3746338 0.15 996.8005371 0.09 1007.5246580 4.37 1008.5306400 0.04 1011.4379880 39.06 1012.6298830 1.44 1033.3986820 0.11 1039.0633540 0.20 1039.6707760 0.14 1051.3870850 8.01 1052.2304690 0.27 1067.4823000 2.23 1069.3833010 46.20 1070.4630130 2.00 1081.6564940 0.15 1083.4390870 0.03 1095.2595210 0.81 1099.4709470 0.60 1109.3612060 1.85 1111.1962890 1.98 1112.3198240 7.09 1113.4979250 0.07 1127.4404300 100.00 1128.3781740 2.03 1129.8713380 0.13 1153.4785160 2.70 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 393.1765 Annotation cis-3-Hexenyl b-primeveroside Peak:m/z Relative Intensity 112.9991684 6.40 114.3173218 0.49 115.1118164 0.22 118.9212952 4.45 120.0225983 0.20 125.0148544 2.83 126.0434875 0.53 126.8877792 0.51 130.8956604 28.09 132.0284424 1.61 133.0397034 0.49 138.8339233 0.08 142.9972229 10.91 144.1194305 0.55 148.4476318 15.29 149.0615387 100.00 150.0419617 6.36 150.9572144 0.18 159.9158325 0.26 160.8833923 6.91 162.1435394 0.87 177.7764587 0.17 178.9414062 9.38 179.9627380 0.37 191.0675049 34.57 192.0807648 2.70 203.0503540 0.12 207.0385590 0.81 208.2898560 0.23 214.9898987 0.20 217.1839905 0.25 218.9127808 0.39 220.3855438 4.65 221.0172577 21.87 221.9489136 1.72 233.0313721 3.25 234.0357666 0.13 247.2198792 0.40 248.5229492 0.13 250.9053345 21.47 251.9640198 2.58 261.0021973 6.85 261.9631042 1.25 263.2211304 0.11 264.8770752 0.10 271.5563660 0.07 275.1448364 3.86 276.0616455 0.60 281.1476135 0.38 293.0830383 16.32 294.1504822 1.54 311.0882568 11.61 312.1171265 0.91 315.4121704 0.21 329.8544617 0.20 331.3623047 0.25 332.1915588 0.41 334.9826050 0.26 350.2664185 0.16 374.8591309 0.16 378.2317810 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 731.3004 Annotation Unknow Peak:m/z Relative Intensity 217.1160583 0.17 229.0871887 2.35 230.1898499 0.94 233.0168457 0.70 251.9029541 0.31 267.2002563 0.09 273.2781677 0.21 300.8114929 0.40 309.4473877 0.32 336.4688721 0.51 340.2487793 0.50 346.4196167 0.05 358.2770996 0.49 379.1596069 0.06 381.4769897 0.10 392.2905273 0.64 413.3061523 0.13 416.3045654 0.10 419.3624268 0.07 429.3721313 0.47 438.2833862 0.11 448.9753418 0.22 463.3034058 0.60 465.0176392 0.10 467.1058350 0.23 474.5247803 0.30 488.3177490 0.16 503.1680908 0.30 515.3511963 0.18 529.3167114 0.06 530.2997437 0.17 535.4257202 0.81 543.8012085 1.37 545.3469849 0.96 547.0615845 0.22 549.5870361 0.21 553.3075562 0.33 557.8069458 0.33 558.8887939 1.85 577.1123657 0.20 577.7797241 1.35 578.4083862 0.79 586.2606201 1.15 587.2771606 0.18 588.0391235 0.16 607.4146729 0.17 613.4232788 0.44 615.0272827 0.47 616.2391968 0.63 617.1876221 0.75 618.7467041 0.37 624.8612671 0.25 626.5568237 1.08 631.3424683 0.14 635.7760620 0.82 637.7394409 0.88 638.8467407 0.35 642.2612915 0.35 643.1689453 1.17 644.4869995 1.41 648.7435913 0.61 651.4382935 0.18 663.2874146 2.78 666.4136353 4.78 667.3989868 1.05 669.2491455 1.00 673.1016846 0.27 674.4956055 2.37 676.7089233 0.21 678.8602295 2.29 682.2881470 1.94 684.6929321 0.13 687.6301880 0.23 689.0910034 5.16 690.0623779 0.27 692.8295288 2.23 693.6406860 1.94 694.3621216 0.20 695.1306152 0.36 697.8261719 0.17 698.6122437 1.05 699.5992432 2.38 703.8356323 1.14 704.9898071 2.91 705.7656860 1.88 709.6877441 11.67 710.3656616 0.11 711.8440552 0.51 712.4647217 1.91 713.2995605 0.42 715.5277100 0.15 717.6405640 2.61 718.6054077 0.31 720.5079956 0.54 721.1124268 0.32 722.2732544 2.35 723.4730835 0.43 741.0798950 0.69 743.6076660 1.04 749.3771362 1.62 755.2251587 0.74 759.7047729 0.22 760.4972534 1.91 762.8027954 1.11 768.5169678 0.75 769.5099487 0.40 771.8229370 1.73 778.2285767 0.26 780.1636353 1.48 781.5126343 0.22 782.9398193 0.15 790.4312134 3.50 792.4869385 0.36 793.8613892 1.92 794.9298706 2.05 795.9242554 0.30 797.5387573 0.08 799.0419312 2.81 799.6849365 29.59 800.6997070 0.84 801.6625977 0.30 802.7838745 0.46 803.7549438 3.77 804.5691528 0.82 806.2423706 6.20 806.9352417 1.09 807.8946533 0.28 809.1905518 0.61 810.0967407 0.53 813.1073608 0.97 814.0098267 0.69 818.2788086 3.25 819.0416870 1.65 821.7585449 0.11 822.8634644 4.79 823.5254517 1.26 824.7965698 5.57 825.8853149 2.03 826.6681519 30.62 828.2854004 13.40 829.0625610 2.96 830.4225464 0.74 831.4520874 1.33 832.1996460 100.00 835.4909058 0.90 837.8582153 1.93 838.7957764 12.23 840.9766235 0.30 846.7095337 0.67 847.9370117 0.10 850.7647095 3.26 852.0007935 0.38 852.9807739 0.32 860.5769653 0.43 863.4432983 0.58 865.8706665 0.59 869.1804199 0.41 873.5613403 0.17 877.0769043 1.50 878.1635132 0.62 882.9992065 0.88 885.6851196 0.78 891.3275757 0.79 892.6525879 1.39 893.8082886 1.87 895.0571899 1.40 896.3222656 0.45 899.3557129 3.73 900.1609497 0.62 901.3032227 0.54 902.3546753 1.63 904.2241211 0.96 904.9457397 2.12 906.2240601 0.40 907.5104980 0.52 909.8772583 1.12 913.9242554 0.79 915.5288086 0.27 917.5601196 1.07 919.5344238 0.33 921.5044556 0.42 923.0927124 2.40 928.9933472 1.12 931.2999878 0.71 936.6015015 1.18 937.5695801 0.70 939.1466675 0.77 940.4859009 0.64 942.8141479 1.29 946.1538696 0.14 946.8848267 0.09 948.2126465 1.84 950.5335083 1.54 951.2919312 0.70 952.5548706 0.29 959.5579224 1.20 960.6649780 0.33 962.4872437 1.06 964.6613159 5.58 965.2925415 1.02 966.7604370 0.16 968.6122437 0.48 969.7341309 0.13 979.0093384 0.98 983.2343750 0.19 984.2067871 3.20 984.8998413 0.14 988.0183105 0.07 990.9433594 2.17 991.7517700 0.90 992.5222168 1.18 994.8926392 0.60 998.7465820 2.25 999.4521484 0.60 1000.7033080 1.69 1005.0392460 1.16 1005.9426880 0.06 1009.0741580 1.28 1014.3211060 1.74 1015.2454220 2.20 1019.7561650 0.42 1021.9323730 0.52 1032.3817140 0.17 1034.0793460 0.13 1035.0823970 0.62 1039.1276860 0.17 1048.9348140 0.31 1049.5632320 0.09 1054.1942140 0.28 1076.5874020 1.19 1093.2269290 0.23 1096.7038570 0.24 1127.7252200 0.22 1137.6589360 0.31 1138.6955570 0.55 1140.6927490 0.19 1158.4399410 0.43 1166.3132320 0.29 1169.5947270 0.42 1179.5019530 0.30 1188.5723880 0.48 1196.7572020 0.21 1200.5666500 0.56 1204.6445310 0.36 1213.7116700 0.44 1219.5072020 0.18 1226.8763430 2.76 1233.6829830 0.25 1242.2119140 0.47 1251.7828370 0.20 1421.8642580 0.29 1436.9649660 0.08 1495.6669920 0.19 1568.1739500 0.12 1595.8156740 0.26 1596.5651860 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 263.1023 Annotation L-cis-Cyclo(aspartylphenylalanyl) Peak:m/z Relative Intensity 112.9461212 0.04 124.9668121 0.01 130.0189056 0.22 139.1501160 0.01 146.9390869 0.02 149.9575348 0.05 151.3047943 0.05 153.0022583 0.04 157.0545654 1.94 172.7545624 0.06 175.0144653 9.77 175.6568451 0.14 177.1172028 0.04 199.2143250 0.03 201.2113037 0.02 203.0518341 39.90 205.0555267 0.05 213.4181671 0.06 216.9212494 7.45 217.7145691 0.02 221.0728912 10.37 221.6765442 0.06 226.7294464 0.17 235.1619720 0.02 236.0979767 0.07 245.0477905 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1658 Annotation beta-D-Glucopyranosyl-11-hydroxyjasmonic acid Peak:m/z Relative Intensity 112.9367447 0.61 114.8048706 0.09 118.8989258 0.86 125.0143127 0.27 130.9794312 0.14 143.0006866 1.54 145.1740112 0.32 147.0465088 1.13 149.0695648 0.45 150.7644501 0.05 158.9699097 0.12 160.8521118 0.26 163.0131683 100.00 163.6188812 0.27 175.6288452 0.40 178.9481812 0.74 181.1493073 0.28 186.1752319 0.07 188.9413452 0.21 195.0681763 0.08 207.1208801 9.83 208.1767578 0.17 209.1472778 2.70 213.0518646 0.21 220.8744659 0.37 224.2211609 0.10 225.1486511 1.55 226.2463989 0.09 228.2214661 0.08 248.9346313 0.60 249.5985413 0.05 251.1493530 0.27 261.1085815 0.07 265.1038513 0.08 267.1490173 0.68 281.3295593 0.12 287.3813477 0.24 289.4768982 0.09 293.2872925 0.13 303.2291870 0.32 307.2160034 1.42 308.2670898 0.08 312.6639404 0.32 315.1636047 0.08 324.2670288 0.29 327.3207397 0.22 329.3471069 0.37 339.7800293 0.42 341.2999878 1.10 342.3081360 0.40 343.3513794 0.72 344.2832031 0.05 346.4038086 0.12 355.1394348 0.23 357.2253418 0.10 358.9819641 0.06 367.9795837 0.06 369.2456360 16.99 370.6585388 0.13 372.2596741 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 303.02 Annotation Unknow Peak:m/z Relative Intensity 88.0293427 0.95 94.9843750 0.07 112.7427979 0.16 113.9545746 0.74 115.0230713 2.25 132.0678406 100.00 152.8497925 0.28 154.7361450 0.13 170.9458313 0.03 185.3993835 0.04 188.3282166 0.06 195.2761078 0.16 200.3730774 0.04 201.3629150 0.06 213.1737366 0.48 218.0844116 0.10 219.0376282 0.70 223.2513428 0.08 227.0881958 0.28 229.0779724 0.05 231.2738953 0.22 241.1846924 0.47 245.2153015 0.34 258.9235840 0.16 267.0302734 0.32 274.6218262 0.23 285.1353149 18.61 285.8432007 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1391.2484 Annotation Unknow Peak:m/z Relative Intensity 387.3831787 0.02 394.2538757 0.11 424.2097168 0.31 425.2299500 0.28 439.2394409 0.32 442.0395508 0.08 457.1763611 0.49 501.1524048 10.42 515.1253662 0.05 517.2630005 0.01 519.0527344 3.84 519.6745605 0.03 693.4483032 0.02 695.0362549 100.00 695.9732666 0.02 1035.2290040 0.22 1253.9550780 0.05 1311.5593260 0.08 1373.6865230 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1294 Annotation Arborescoside Peak:m/z Relative Intensity 113.0530243 0.52 132.0678711 0.25 137.0218353 6.73 138.9703217 0.11 146.1060028 0.20 149.0486755 0.13 160.5962219 0.38 161.2851562 0.66 164.0170898 0.63 165.1455383 0.22 166.3160095 0.11 175.1166992 0.79 179.0901184 25.30 189.0289001 0.20 191.0333099 0.06 193.0475006 0.14 193.9316101 0.12 205.0429382 0.24 207.1353149 2.85 211.1914062 7.85 215.3170929 0.10 219.0606995 0.13 222.0632019 0.08 226.0814514 0.26 231.1183167 2.49 233.0574341 0.09 237.6185608 0.34 241.1719360 0.40 249.0482483 64.45 249.6720276 0.17 252.1302795 0.25 254.3767700 0.25 257.3183899 0.09 265.1954651 0.07 267.0927429 100.00 267.6942444 0.40 268.4544678 0.16 271.9999390 0.65 281.1346130 0.32 290.7965698 0.11 293.1529236 1.98 297.0484009 0.41 302.4387512 0.11 305.0765381 0.33 313.4602051 0.13 324.7280884 0.49 325.4939880 0.87 327.0832520 0.89 339.3285522 0.22 340.8596191 9.09 341.5968933 0.10 342.2460938 0.47 343.2208557 0.72 344.3784485 0.42 351.3476868 0.26 353.3010559 0.55 357.2304993 0.57 365.1605835 0.28 367.2177429 0.07 369.0880432 4.66 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 364.78 Annotation Unknow Peak:m/z Relative Intensity 137.9314117 0.20 202.2842712 0.20 204.8584290 0.82 206.9401398 0.25 212.8485413 2.27 214.8718414 0.83 231.9479980 0.32 278.7017517 6.25 280.7844849 100.00 288.5252075 0.86 289.1790771 0.02 290.7952881 2.01 293.0406189 0.36 296.7453003 0.23 318.8887939 1.06 347.2799377 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 607.2542 Annotation Phaeophorbide b Peak:m/z Relative Intensity 176.7244415 0.10 183.0994415 0.09 195.3728027 0.07 220.1298523 0.17 221.2802582 0.21 223.2446747 0.04 225.2091980 0.09 234.1152191 0.13 234.8501892 0.27 237.4423828 0.17 238.1896362 0.14 245.3564453 0.03 251.3657990 0.22 263.2557373 0.31 265.0149536 0.09 266.1950378 0.07 267.7651062 0.08 273.3167725 0.07 277.4695129 0.03 289.2307129 0.08 296.1994019 0.28 302.1268921 0.06 306.1392822 0.05 306.9976501 0.24 312.6430664 0.03 313.3739624 0.16 323.1668701 0.12 324.2895813 0.12 324.9651489 0.21 327.5585938 0.10 328.6022949 0.12 337.4264526 0.08 338.8293457 0.06 342.4093628 0.11 343.2617798 0.15 350.2428589 0.06 351.2488403 0.10 354.4459839 0.23 355.1226196 0.48 356.2152100 0.06 357.3857422 0.17 363.1744995 0.13 367.3083496 0.07 370.3959961 0.04 379.6855469 0.21 389.6585693 0.17 393.5178223 0.57 406.2541504 0.16 409.5371094 0.11 410.5698853 0.10 417.2755127 0.04 419.3359375 0.07 428.5375977 0.11 429.2077637 0.14 431.6279907 0.26 433.2863770 0.06 434.6772461 0.13 437.5267944 0.06 438.7888184 0.09 439.6552124 0.03 441.3961182 0.10 444.5034790 0.10 445.2976685 0.35 446.5214233 0.07 448.4122314 0.09 449.1252441 0.06 451.5891113 0.11 454.4019775 0.12 457.2712402 0.24 458.2183838 0.20 459.4006958 0.13 460.4697876 0.20 461.3411255 0.39 465.3204956 0.08 469.1766357 0.07 471.0643921 0.48 472.2460938 0.31 473.3506470 0.69 474.5675659 1.11 475.5701294 0.99 476.3751221 0.39 477.3901978 10.98 478.2707520 2.41 479.4156494 0.26 480.2709961 0.29 481.7390747 0.04 483.4822388 0.32 485.3641968 2.46 486.4296875 0.43 487.4418335 2.33 488.3635864 0.70 489.3547974 1.46 490.3869629 0.81 491.4482422 0.30 492.1493530 0.27 493.7806396 0.05 498.4776001 0.17 499.5583496 0.09 500.4887085 1.38 501.3783569 3.05 502.3955688 2.12 503.4022827 4.19 504.4408569 1.81 505.4821167 2.95 506.3591309 1.89 507.3976440 2.42 508.4121704 0.79 509.5997314 0.09 511.2374268 0.29 512.0875244 0.31 513.3998413 3.58 514.3822632 2.16 515.3464966 0.85 516.4591064 2.80 517.3795166 17.44 518.3491821 30.30 519.3524780 26.14 520.4072266 4.47 521.3687744 0.05 527.1880493 0.25 528.2751465 0.51 529.3521118 3.80 530.3374023 4.79 531.3963623 7.23 532.3531494 3.11 533.3684082 3.25 534.4021606 1.17 535.2476196 1.14 536.3219604 0.17 537.4784546 0.46 538.6437988 0.31 539.5382690 0.43 540.5650024 0.32 543.3164062 0.47 545.3550415 2.06 546.5634155 7.04 547.4065552 44.91 548.3877563 28.78 549.3915405 4.11 550.3023682 2.92 551.3206177 2.44 552.4569092 0.59 556.4081421 0.27 557.3318481 4.97 558.3994751 1.14 559.5966187 0.10 560.7510376 0.78 561.5385132 2.59 562.6287231 1.51 563.3921509 2.03 564.4770508 0.72 565.6921387 0.50 570.4617310 0.13 571.7015991 0.38 573.2710571 0.35 574.3280640 1.13 575.3685913 16.90 576.3538208 4.99 577.2997437 3.89 578.2970581 9.66 579.4133911 9.56 580.4579468 3.49 589.2542114 100.00 590.3710938 28.60 591.0932007 0.06 592.5213013 0.08 598.5983887 0.13 606.3236694 1.00 607.4287720 0.82 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1277.55 Annotation Ashimycin B Peak:m/z Relative Intensity 387.1752930 0.24 501.2626343 0.04 515.5884399 0.42 543.2037354 0.13 560.4307861 0.11 599.3510742 0.02 643.4675293 0.08 656.2054443 0.08 676.4457397 0.04 677.7581787 0.25 681.2816162 0.07 753.2995605 0.06 775.6904907 0.11 807.1105957 0.22 812.2587891 0.18 821.6107178 0.03 823.4061279 0.45 832.3737183 0.06 938.3840332 0.05 944.4141846 0.11 966.1851807 0.17 969.4107666 0.92 971.6071777 11.59 992.4912109 0.13 1013.5949710 0.03 1067.7871090 0.18 1071.5283200 0.23 1079.8923340 0.05 1085.8354490 0.22 1091.5285640 0.06 1096.2175290 0.03 1098.2667240 0.09 1100.9139400 0.09 1108.5098880 0.03 1113.5948490 0.09 1114.5721440 0.10 1115.9230960 0.24 1117.4151610 0.18 1129.5889890 0.09 1147.5253910 100.00 1148.3631590 0.43 1153.1723630 0.06 1157.6010740 0.04 1162.3127440 0.11 1168.6080320 0.04 1175.3491210 0.07 1177.2050780 0.26 1186.5474850 0.10 1201.3848880 0.02 1219.9625240 0.35 1223.3175050 0.16 1233.5461430 0.15 1240.7976070 0.09 1244.1887210 0.16 1245.5488280 0.12 1258.0466310 0.06 1258.7043460 0.29 1259.3591310 4.78 1261.0349120 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 203.0826 Annotation Ethotoin Peak:m/z Relative Intensity 66.1403198 0.08 71.9703293 0.07 73.9955139 0.96 97.0250702 0.14 115.9691010 34.58 117.0344696 0.05 118.0548096 0.11 121.1183014 0.08 127.9469299 0.57 129.5173950 0.36 130.1351776 0.68 132.1399078 0.18 142.0621490 14.11 157.1025391 0.14 159.0751953 100.00 172.0813141 0.05 173.0083923 2.40 173.9421539 0.07 185.1355743 1.45 185.9945831 10.53 187.0589752 0.06 188.0298767 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 649.1198 Annotation Unknow Peak:m/z Relative Intensity 182.8304443 0.05 185.1543884 0.10 187.0811462 0.64 198.9117126 0.06 203.1498871 0.28 217.0104675 0.14 229.1245728 1.48 230.9820557 0.07 244.9340668 0.02 255.2127686 0.11 259.1710205 0.03 261.1605835 0.28 267.1427002 0.08 281.1609192 0.13 283.1679688 0.16 285.1764221 0.07 303.1438599 0.57 309.1549377 0.48 310.9706421 0.16 312.1517334 1.57 313.1160889 0.11 321.1062622 28.33 325.1743774 0.98 327.1782837 8.64 336.9074707 0.24 340.1944580 2.32 341.1898193 1.00 353.1606445 0.64 354.4870605 0.04 355.3062744 0.11 357.4551392 0.07 364.1295166 0.17 366.9077148 0.17 369.2272339 3.32 379.3294678 0.06 380.1396484 0.17 393.3526001 0.12 395.3725586 0.32 397.3966675 0.63 398.4384155 0.03 405.3159180 0.08 406.1171265 0.12 416.3313599 0.20 423.2901001 4.00 453.6134033 0.08 459.2363892 0.16 473.2955933 0.23 485.1125488 100.00 485.7648926 0.34 491.6542358 0.03 493.2965698 0.04 503.2656250 0.61 505.2506104 0.11 527.2310791 0.21 534.4650879 0.17 539.5316772 0.06 550.2605591 0.09 553.2282715 0.05 559.3348389 0.10 573.2344360 0.05 576.2671509 0.17 598.2047729 0.05 599.4170532 0.12 602.4230957 0.66 603.3485107 0.27 604.3917847 0.22 605.2714233 0.48 617.6952515 0.13 620.4458008 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1199.3688 Annotation 2,3-Dihydro-9-hydroxy-2-[1-(6-feruloyl)-beta-D-glucosyloxy-1-methylethyl]-7H-furo[3,2-g][1]benzopyran-7-one Peak:m/z Relative Intensity 331.2049561 0.04 351.3751831 0.02 358.1935120 0.02 366.3380737 0.03 410.9070740 0.05 427.2128296 0.09 429.2741089 0.04 453.3835449 0.06 455.2057495 0.03 456.8825378 0.02 505.3110352 0.10 506.3881226 0.02 625.6151123 0.04 637.3881836 0.16 638.1510010 0.10 655.2145996 0.51 656.1378174 0.02 687.3325195 0.74 688.0288086 0.10 694.4174805 0.06 705.0706177 0.07 747.6185913 0.04 751.5375977 0.02 769.2957764 1.88 770.4224854 0.64 787.3212891 52.70 788.3482666 14.92 814.9053345 0.13 829.2694092 0.03 843.1579590 0.23 867.4216309 0.53 868.3487549 0.20 869.4636230 0.02 870.4217529 0.02 885.3845215 0.11 887.2856445 1.44 888.1827393 0.20 892.7148438 0.02 902.7315674 0.05 905.1043701 0.05 920.4272461 0.03 928.6337891 0.06 933.6256104 0.08 949.6678467 0.11 960.1719971 0.02 975.3356934 15.63 976.3742676 6.20 996.5023193 0.01 1001.3686520 2.09 1002.4935300 0.38 1013.3740230 0.04 1019.2932130 100.00 1020.3936770 35.56 1033.6391600 0.05 1037.4007570 0.51 1038.5268550 0.08 1043.3403320 0.04 1062.1489260 0.16 1067.2990720 1.24 1068.4420170 0.54 1139.2635500 0.10 1163.0975340 0.02 1180.6942140 0.10 1181.4250490 0.39 1182.4750980 0.05 1185.1942140 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 967.4171 Annotation Basellasaponin B Peak:m/z Relative Intensity 291.1996765 0.03 467.4859619 0.06 469.5518188 0.62 470.4528809 0.11 499.1187744 0.06 511.4940796 0.09 523.4389648 0.07 535.6811523 0.01 537.7975464 0.12 541.4757690 0.09 551.3575439 0.08 566.0559692 0.12 569.2649536 0.02 579.7120972 0.19 583.4807129 4.32 584.4714966 0.65 595.7477417 0.21 597.7248535 0.15 623.4630737 0.49 624.4707642 0.14 627.4707642 0.85 628.6983032 0.28 641.5225830 8.35 642.4921875 1.42 645.4732666 3.79 646.5311890 0.91 665.2228394 0.03 667.6481934 0.02 668.3466187 0.17 672.7493286 0.18 683.5147095 0.20 685.5450439 0.67 686.7669067 0.17 687.5807495 0.15 688.7368774 0.13 699.5488281 0.16 701.6881104 0.05 703.4542847 0.34 711.5354614 0.04 713.6592407 0.09 723.7252808 0.14 733.4669189 0.07 734.4808350 0.03 741.6364136 0.09 743.7154541 0.03 745.5380249 0.07 755.3451538 0.11 761.4982300 1.41 762.3930664 0.11 781.5076904 0.05 785.7222290 0.08 789.5199585 1.64 790.4763794 0.43 803.4906616 20.04 804.5272827 3.19 805.4704590 0.37 807.5161743 74.16 808.5804443 10.07 819.6347046 0.25 822.2898560 0.07 829.1533203 0.33 829.8871460 0.24 831.7533569 0.03 835.5488892 1.04 836.8283691 0.08 847.4602661 12.18 848.5104370 2.20 850.0277710 0.16 861.3890991 0.24 863.3855591 1.04 865.4297485 34.59 866.4620361 5.99 867.0936279 0.03 879.6770630 0.05 887.6372681 0.11 890.6970215 0.26 891.3255615 0.23 892.5828247 0.02 895.5579224 0.88 896.6140747 0.10 905.4144897 1.09 906.5315552 0.02 907.1799927 0.86 907.8065796 0.08 908.4443970 1.87 909.3687134 0.58 923.4417114 100.00 924.4534912 16.94 925.0989990 0.19 926.6326904 0.03 931.9299927 0.03 940.6157227 0.30 949.4114380 0.75 950.3935547 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 555.3182 Annotation FR 235222 Peak:m/z Relative Intensity 170.8266449 0.07 189.0910339 0.67 230.9934387 0.04 248.9869537 0.05 251.1069031 0.01 255.3779297 0.06 260.1368408 0.03 281.5418701 0.07 286.1831055 0.03 305.3298035 0.04 313.1408691 0.03 319.2598267 0.07 323.0933228 0.08 325.0437622 0.02 331.8073730 0.09 335.1309814 0.02 341.2376099 0.07 345.0630493 0.03 349.5313110 0.02 375.4161377 0.24 376.0833740 0.08 377.3264160 0.01 391.1531982 0.10 403.1108398 0.02 406.9291992 0.30 411.3988647 0.07 416.9405518 0.15 418.3070679 0.09 427.3803101 0.07 433.4171143 0.11 434.5264282 0.08 439.2011719 0.07 451.3972168 6.76 458.5147095 0.04 459.1455688 0.04 465.5379028 0.12 475.3941040 0.04 491.4000854 1.29 493.3875122 0.04 495.2701416 0.03 507.3790894 0.17 509.3831177 100.00 510.0263672 0.55 511.5028687 0.06 517.8181763 0.12 519.3929443 0.18 521.6483765 0.05 523.6159668 0.05 524.4429321 0.08 525.2389526 0.07 536.5285034 0.06 537.3038940 0.22 538.1401978 0.05 539.3054810 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 544.73 Annotation Unknow Peak:m/z Relative Intensity 206.9159546 0.25 208.0975494 0.07 208.8173828 0.38 212.9240875 0.11 214.7721558 0.04 228.8804626 0.09 272.9349365 0.05 290.7944641 4.61 292.7328491 6.55 293.3417969 0.04 326.8395996 0.08 368.9584961 0.10 370.6681519 0.59 372.7788086 0.15 374.1212769 0.67 374.7350464 3.10 376.1198120 2.41 376.8032227 5.62 381.0974121 0.05 395.1080933 0.07 406.2904053 0.07 408.0729980 0.13 421.8936768 0.11 433.0398560 0.21 434.7689209 0.04 438.8140259 0.08 455.8626709 1.41 456.8724365 0.16 458.5862427 25.79 459.7841187 23.30 460.5950928 100.00 461.3474121 0.06 467.0924683 0.20 470.0310669 0.11 470.8190918 0.30 475.6512451 0.27 483.6406860 0.10 484.6361084 0.21 486.6987915 0.14 488.7689209 0.08 498.5294189 2.33 499.1787720 0.04 508.9602051 0.34 520.6290894 0.17 521.4137573 0.28 522.5221558 0.15 526.5767822 0.46 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1437.6184 Annotation Maytanbutine Peak:m/z Relative Intensity 439.6051636 0.07 454.9460754 0.13 455.7037964 0.08 483.4691772 0.51 501.5152283 1.81 502.2908020 0.27 525.5086060 0.19 536.3902588 0.04 543.8200684 0.09 544.4223633 0.41 585.3853760 0.04 671.8152466 0.18 747.2870483 0.14 750.4089355 0.07 791.4591064 1.27 792.8981934 0.25 809.6351318 0.16 872.4695435 0.42 874.1693115 0.26 902.5076904 0.12 935.2719727 0.35 937.3104248 0.06 937.9129639 0.08 955.8597412 0.20 997.7596436 0.32 1067.5816650 0.05 1069.3383790 1.40 1069.9384770 0.13 1070.6104740 1.01 1087.4008790 1.22 1088.2764890 0.77 1129.5344240 100.00 1130.5466310 42.79 1131.3863530 1.52 1225.6029050 0.19 1305.5051270 1.44 1306.7026370 1.96 1307.6306150 17.40 1308.6867680 1.47 1335.7824710 0.22 1347.6328120 0.06 1375.7587890 0.56 1419.5814210 1.86 1421.0339360 0.11 1421.9677730 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 611.1445 Annotation Oxidized glutathione Peak:m/z Relative Intensity 171.2043915 0.14 175.1016998 0.37 176.9850159 0.04 179.0203857 3.03 180.1255646 0.22 183.4828339 0.13 185.2557983 0.34 192.1171112 0.47 193.1255188 0.27 197.2080688 0.39 198.3101196 0.07 203.6137390 0.07 208.2736664 0.22 210.1238861 2.46 211.1443634 0.63 212.9966736 0.17 224.1453705 0.14 226.2348480 0.09 228.4459229 0.15 229.1350861 0.12 241.9636536 0.30 252.6720886 0.21 254.1531830 13.08 255.1795959 2.93 262.8070679 0.10 264.1624146 0.03 270.0632935 0.03 272.1354370 40.05 273.0948486 7.03 286.1975098 0.52 286.8701172 0.19 288.1981201 5.14 289.2131958 0.43 304.2015381 14.02 305.2578125 2.40 306.1099243 100.00 307.1436768 16.06 320.0576172 0.52 338.0843506 46.78 339.1846313 7.42 353.0043945 0.12 361.1677856 0.34 364.0484009 0.10 430.4729004 0.04 464.1497192 0.78 465.2412109 0.06 482.1746216 37.37 483.1369629 7.14 483.7794189 0.17 536.1251831 0.02 541.4520874 0.16 542.3194580 0.12 575.1651001 0.61 576.1715088 0.30 593.1843262 21.13 594.2109985 4.80 595.5957642 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 639.28 Annotation Phaeophorbide b Peak:m/z Relative Intensity 187.2081146 0.11 189.1721497 0.04 190.8848877 0.17 201.0443115 0.02 204.9022675 0.12 215.1232147 0.05 216.9071350 0.07 229.1766205 0.03 232.9823303 0.09 240.2960815 0.07 247.2694244 0.05 249.2404480 0.03 255.0386658 0.11 256.0158081 0.07 259.1258545 0.04 266.3476562 0.07 279.2932739 0.12 280.5383911 0.02 283.6210938 0.06 291.4134216 0.17 293.2103882 0.05 301.3624268 0.08 305.2037354 0.18 306.2612000 0.11 307.0808105 0.03 313.2284546 0.17 314.2900085 0.24 320.0628052 0.04 323.2811279 0.03 329.2560425 0.19 330.9724121 0.02 337.1005249 0.04 341.2457275 0.12 342.0913086 0.15 344.9196167 0.09 359.3779297 0.14 365.9825439 0.03 369.2201538 0.30 371.2360840 0.72 372.6470337 0.10 373.7179565 0.16 381.2274170 0.02 385.2381592 0.15 386.3245239 0.15 387.3648682 0.11 389.2648315 2.25 401.2138672 0.09 406.7487793 0.81 407.3580933 0.10 411.2968750 0.07 412.1502686 0.07 419.3233643 0.11 424.0715332 0.10 425.3754272 0.03 429.8203735 0.03 443.2604980 0.09 444.0751953 0.14 447.3507080 0.07 448.5762939 0.09 453.5424194 0.16 457.4824829 0.11 467.1795654 0.05 470.4169922 0.06 472.3703613 0.10 475.5516357 0.07 480.3665771 0.12 482.8222656 0.08 485.2161865 0.03 486.7671509 0.05 488.3450928 0.11 489.4799194 0.04 494.0752563 0.02 496.3160400 0.11 497.4058228 0.98 498.4215698 0.32 502.2073975 0.12 508.6113281 0.09 509.4754639 0.07 513.5116577 0.08 518.3924561 0.05 520.0101929 0.21 521.3628540 0.02 523.4137573 0.08 527.5621338 0.25 533.3703003 0.03 534.1929321 0.03 535.2495728 0.29 537.4133911 0.33 539.3601685 0.20 541.6076660 0.16 547.4401245 0.35 548.4920654 0.06 551.6848755 0.16 552.4006958 0.04 561.7318726 0.16 562.3596191 0.03 563.4133911 1.39 565.3672485 1.02 566.4739990 0.26 567.5343628 3.89 569.5004272 0.53 576.7156982 0.05 577.5989380 0.05 579.3199463 2.89 580.4893188 0.20 581.5722046 1.34 583.1953735 0.19 589.4199829 0.40 590.3380737 0.21 593.4008179 0.26 595.4015503 3.62 597.3115845 100.00 598.1021729 0.47 601.3997803 0.14 602.6928101 0.03 603.9064331 0.02 604.7157593 0.08 606.2833252 0.35 607.4003906 15.10 608.2725830 0.41 611.3576050 18.86 612.1425781 0.13 621.3215942 14.02 622.4393921 1.36 623.2351074 0.08 624.3268433 0.23 625.7409058 0.07 639.0322266 0.07 640.4266968 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 693.2766 Annotation Unknow Peak:m/z Relative Intensity 197.2126160 0.02 200.1285706 0.08 202.0388641 0.04 203.3805237 0.09 213.8826599 0.10 214.9188690 0.05 221.4613190 0.03 228.4126282 0.17 229.2747498 0.72 230.2152405 0.31 231.1099548 0.14 238.1045685 0.07 245.1940002 0.69 246.5520020 0.29 249.1357727 0.03 254.9826965 0.04 256.0999451 0.12 257.3659058 0.06 258.2648315 0.03 259.1405640 0.02 262.8309326 0.08 271.0959473 0.04 273.1998901 2.79 274.1503296 2.33 275.2063599 0.31 276.3290100 0.09 281.1604614 0.02 285.9703064 0.06 289.0163879 0.03 290.9288940 0.06 299.1798401 0.06 300.5076294 0.09 317.3591309 3.24 318.3674316 1.08 319.3372803 0.10 323.3963623 0.05 326.3538208 0.06 327.3447876 0.06 333.4693604 0.04 335.2215576 19.06 336.2033691 17.99 337.1597290 1.40 342.1239624 0.03 355.2604980 0.87 356.2469482 1.50 357.2999878 0.15 397.2787476 0.03 403.3731079 0.04 416.3663940 0.05 430.3267822 0.05 443.1158447 0.09 453.6987305 0.05 460.4171143 1.82 465.3872070 0.04 470.3522339 0.17 474.1810913 0.11 476.2049561 0.43 486.2993164 0.13 487.5654297 0.06 492.3091431 0.03 499.1773071 0.11 500.5856934 0.04 503.1789551 0.18 504.3154907 7.31 506.1140137 0.16 507.9010010 0.06 508.8538818 0.05 513.5044556 0.46 514.5237427 0.03 515.8010254 0.15 516.5026245 0.06 518.1774902 1.75 520.4559937 0.36 521.3897705 0.07 524.4098511 0.07 531.3963623 0.07 533.5715332 0.08 536.2731934 100.00 537.4891968 0.13 539.6436768 0.02 541.2811890 0.12 547.1047974 0.08 549.3222046 0.03 555.4053345 0.05 556.3638916 0.06 557.3607788 0.14 558.8311768 0.11 559.7789917 0.16 565.1433105 0.12 566.0010376 0.05 571.5727539 0.06 573.3906250 1.59 581.6275635 0.20 583.2706299 2.31 583.9716797 0.08 586.3526611 0.07 588.3414307 1.03 589.2025146 0.24 595.4484863 0.05 598.4335327 0.05 599.8829956 0.93 600.7145996 0.78 601.4075317 4.66 602.4650879 0.06 603.5356445 0.04 604.5464478 0.04 605.5542603 0.06 607.5490112 0.05 613.4364624 0.12 615.4324341 7.98 616.3833618 0.22 617.2906494 0.34 619.1994629 0.08 620.4047852 0.63 621.5086060 0.15 625.3806763 2.06 627.3784790 0.09 630.3478394 0.19 631.4113770 2.39 632.4089355 10.69 633.2634277 28.99 633.9594727 0.03 641.3969116 0.05 643.2700195 11.65 643.9243774 0.05 645.2453003 0.28 646.3713989 0.19 647.1286621 0.15 648.3590698 0.23 649.3766479 0.68 657.2763062 4.62 657.8915405 0.06 659.1270142 0.16 660.3429565 6.44 661.3963013 14.61 663.1000366 1.12 665.2738037 0.04 667.9692993 0.38 671.9736938 0.18 675.2041016 41.91 675.9171753 0.07 683.4998169 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1438.12 Annotation Unknow Peak:m/z Relative Intensity 407.3941956 0.09 435.3822632 0.10 439.1228333 0.09 454.5690308 0.04 483.4733887 0.16 501.3905945 0.84 543.2417603 0.10 584.9725342 0.09 611.4674683 0.16 629.3167114 0.06 705.6552124 0.09 749.5543213 0.16 791.3887329 0.45 809.4353027 0.28 851.3308105 0.08 935.3581543 0.09 937.5078125 0.42 979.7325439 0.14 997.4945068 0.41 1025.4442140 0.04 1069.5407710 2.24 1087.5197750 1.09 1129.6162110 100.00 1130.5667720 0.23 1132.1187740 0.13 1305.3669430 0.31 1306.8564450 0.42 1307.5769040 0.32 1333.3959960 0.04 1375.6800540 0.36 1418.4456790 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 420.1858 Annotation Unknow Peak:m/z Relative Intensity 114.8080597 0.16 126.9803162 0.99 129.2634277 0.07 129.9798279 0.07 130.7989807 0.08 132.9002228 1.26 136.1738281 0.41 138.5190125 0.15 145.0549927 0.14 149.0071106 0.24 150.0218811 0.49 151.7898712 0.42 155.0549469 0.08 156.4935303 0.26 157.8585205 0.37 159.1069946 0.44 160.9990234 0.66 162.5338898 0.35 168.9331665 0.19 170.9507141 0.35 174.9336395 0.94 177.1078186 0.11 179.1537476 0.42 181.5686035 0.45 186.1268311 0.35 187.2537079 0.47 191.2159882 0.12 195.1927795 0.42 197.1323395 0.45 198.7033997 0.06 205.0695496 0.77 209.3370972 0.42 211.0065918 0.14 215.4081726 0.17 216.9654236 0.41 221.0269165 0.32 223.0347290 17.24 226.7150269 0.24 228.6307068 0.33 229.3021698 0.17 231.8186188 0.17 234.7348022 0.72 235.3625183 0.09 236.9815063 0.13 239.2574463 0.36 240.1341248 0.83 240.8766479 6.83 252.8404541 4.26 253.4544373 0.11 255.1560669 0.70 258.0741577 6.27 258.9424744 22.91 266.2856750 0.07 266.9768982 0.42 269.1479492 0.49 270.3208923 2.36 270.9785156 10.19 272.1460876 0.16 273.0543213 0.35 277.0449829 1.64 278.4119568 0.18 281.2715149 0.11 281.8904114 0.46 285.9475708 0.59 288.0166016 3.44 290.2637329 0.42 292.4903564 0.53 293.5222473 0.05 294.9389648 47.69 297.0991211 0.28 298.9990234 0.17 301.0731812 0.08 303.1743164 0.40 304.6406860 0.51 307.0084534 0.07 308.4110413 0.69 312.2616882 0.19 315.4208984 0.21 317.7066345 2.33 318.4564819 0.77 320.3828125 1.18 321.2060852 0.31 326.7500000 0.40 330.8118896 0.49 332.1868591 0.16 333.1288452 1.57 334.3287659 0.38 335.2850647 0.68 338.1731567 0.67 338.8977051 0.84 344.2921448 0.08 346.3983765 2.46 347.1974792 0.39 348.7042236 0.14 355.0658569 2.27 356.0422363 1.06 359.6181946 0.42 360.2246399 0.23 364.7343445 0.81 365.4412231 0.09 366.4965210 0.10 367.9088745 0.82 370.4075012 0.88 372.2491455 0.11 373.5451355 0.65 374.2316895 0.25 375.3376465 1.39 376.1307373 0.84 377.1330261 1.81 378.3601990 0.66 382.1488647 0.61 382.8667908 0.47 384.1332092 0.97 385.0782166 0.20 387.3615723 0.33 388.2854004 1.32 389.4500427 0.20 390.1806335 0.24 391.1434021 0.24 391.7939148 1.05 395.8866272 0.22 397.2196045 4.88 397.8489990 1.79 398.6623230 0.45 400.2891235 0.13 401.3860474 3.02 402.5576477 32.38 403.4465027 0.41 404.4108582 0.18 405.7369995 9.51 406.3882141 2.93 407.8195801 1.98 408.8186951 0.47 411.2308960 100.00 412.3142395 2.28 413.2059021 0.99 413.9367065 0.11 427.3241882 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1143.5221 Annotation Unknow Peak:m/z Relative Intensity 439.6091919 0.35 455.4803467 0.21 483.4092407 0.09 499.1995544 0.16 501.0718994 0.17 501.8724976 0.35 502.6139832 0.18 543.3867188 0.08 544.4102173 0.14 588.6231689 0.09 642.3970947 0.13 677.3861084 0.19 679.6068115 0.09 759.3206787 0.09 822.0653076 0.63 836.6169434 0.22 890.4597168 0.17 926.4550781 0.42 927.6856689 0.40 951.5864258 0.11 967.6461182 18.93 968.5539551 100.00 969.5340576 34.75 970.2674561 0.08 985.5457764 0.33 1011.7119140 0.44 1012.4935300 0.42 1013.6679690 0.16 1014.3725590 0.31 1064.7082520 0.09 1068.2023930 0.08 1126.4533690 0.19 1127.5872800 0.39 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 571.2245 Annotation Unknow Peak:m/z Relative Intensity 247.0327454 0.02 255.1526184 0.04 333.4737549 0.02 385.5245361 0.02 391.7329102 0.05 408.5165405 0.05 423.0379639 0.04 443.3473511 0.06 460.4552612 0.03 473.3110962 0.09 490.2022095 0.29 523.6221924 0.04 525.2655640 100.00 525.9204712 0.10 527.2187500 0.22 535.2390747 3.99 544.5035400 0.03 552.4002075 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 987.4437 Annotation Unknow Peak:m/z Relative Intensity 304.9914551 0.52 325.1442871 10.77 326.2225342 0.73 423.5068970 0.47 453.0710449 0.43 471.3190918 0.32 481.3871460 1.95 499.5162659 5.35 500.5902405 0.49 517.3690186 4.50 518.5901489 0.79 559.3888550 1.12 632.2557373 2.24 655.2055054 0.67 657.2399902 0.20 661.5338745 0.63 679.4523315 100.00 680.5820312 17.48 779.4586182 0.45 807.6032715 0.74 812.1190186 0.56 819.5097656 0.75 825.6846924 8.04 826.3291016 1.53 856.3482666 0.45 866.4178467 0.36 943.6082764 1.71 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 379.08 Annotation Lisetinone Peak:m/z Relative Intensity 119.0181961 0.10 131.0367889 0.07 137.1212769 0.09 142.8498840 0.25 144.1871338 0.05 156.9981079 0.04 161.0411530 0.30 161.9168701 0.06 178.8833008 0.65 180.0036926 0.09 181.1527557 0.09 197.0271912 0.11 198.0618591 0.07 199.1359558 0.49 215.1522064 2.10 216.0449371 3.18 217.0767059 11.01 221.3486938 0.05 251.6742554 0.03 252.9548340 0.04 278.0387573 0.18 305.0062866 0.04 323.4539490 0.05 341.1617432 100.00 342.1619873 37.64 343.1883240 10.06 359.8679810 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 647.2203 Annotation Unknow Peak:m/z Relative Intensity 379.0634155 0.24 382.2554321 0.02 397.2449341 0.02 471.5493164 0.03 485.1889648 0.02 527.4454956 0.05 543.4815063 0.03 561.4059448 0.24 564.8047485 0.04 566.3744507 0.05 603.3397827 100.00 629.4509277 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 230.99 Annotation Unknow Peak:m/z Relative Intensity 85.8216705 3.51 101.8988495 1.01 107.2507629 1.51 114.9046173 3.41 116.0153656 9.50 118.7004395 1.14 126.1571655 3.61 127.0061951 3.23 128.0077057 3.70 139.9638214 0.73 143.1248016 11.56 145.9252930 2.65 147.0880127 2.41 157.0259552 5.38 164.1077576 0.66 167.0783386 3.71 169.0181732 2.00 171.0395660 3.21 172.0935822 5.43 175.1818848 2.29 184.2894135 1.42 184.9998322 9.30 186.9765167 6.83 189.0483704 23.46 193.9603424 1.07 195.1769714 8.90 195.9893188 4.21 198.2189484 1.22 201.0196533 0.87 212.0277557 13.38 213.0371246 100.00 213.9981384 31.44 216.4481049 3.40 244.2506561 1.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 738.4465 Annotation Unknow Peak:m/z Relative Intensity 220.9977417 0.35 223.0233154 0.12 227.5608978 0.04 239.0099792 0.65 240.4199829 0.16 241.2245331 0.04 249.9518433 0.21 256.2700806 0.16 265.1658325 0.28 267.0791016 0.19 268.8837280 0.17 272.2227783 0.14 282.2894287 0.03 283.2770386 0.85 284.2604675 0.13 285.3387451 0.09 294.3367920 0.68 299.8474731 0.16 309.1629944 0.58 313.2857971 0.13 315.2695618 0.10 316.4039307 0.14 322.1707153 0.11 326.5820618 0.10 327.2537231 1.13 328.1160278 0.16 337.6076050 0.09 341.6699829 0.04 343.1353149 0.04 344.0657959 0.41 345.2104492 0.13 346.8092041 0.15 352.8733521 0.12 353.4992676 0.09 357.2700806 0.31 358.2852173 0.18 359.8053894 0.09 360.8579102 0.26 371.2768555 0.63 372.7504272 0.03 375.4476318 0.28 376.2315674 0.08 380.4933472 0.06 382.3042603 0.07 383.4583130 0.17 385.3287964 0.08 388.2867432 0.46 389.5180664 0.15 391.1480713 0.23 395.1825562 0.04 397.2045288 0.06 398.1704102 0.04 404.2465820 0.31 408.3964233 0.04 413.0051270 0.45 415.2418823 0.51 419.2003784 0.02 420.5338135 0.14 433.8047485 0.04 435.0131226 0.24 439.8742676 0.09 441.1516724 0.12 444.7252808 0.11 445.4588623 0.13 448.2589111 0.37 448.8759766 0.04 455.8427124 0.11 456.9136963 0.27 458.4541016 0.10 459.6451416 0.10 465.1685791 0.04 470.0569458 0.57 474.1140747 0.09 476.5363770 0.43 478.8864746 0.31 485.0372314 0.07 490.7150269 0.27 492.2042236 0.09 499.7960205 0.23 501.2667847 0.60 501.9976807 0.03 503.5545654 0.03 504.6498413 0.03 506.4505005 0.10 507.2470093 0.09 509.2148438 0.05 514.4393311 0.49 520.1469116 0.29 521.4474487 0.05 522.7156982 0.73 523.3504639 0.02 524.1488647 0.03 525.1083374 0.13 527.4679565 0.22 528.4344482 0.02 535.9746094 0.05 543.8339233 0.07 544.9174805 1.07 546.0467529 0.27 547.4723511 0.12 553.4732666 0.08 557.1491089 0.07 558.4724121 0.81 563.2124634 0.04 564.3790283 0.34 565.9921265 0.57 566.9554443 1.56 570.1270752 0.12 571.6658325 0.16 577.3920288 0.08 580.2357178 0.51 583.4455566 0.02 588.8427124 2.90 591.4451294 0.28 593.9081421 0.08 594.5919800 0.09 595.2000732 0.05 595.9575195 0.07 602.2736206 0.61 608.3872070 0.16 609.7702026 0.08 610.8202515 4.15 611.6305542 0.15 612.3231201 0.03 613.8096924 0.05 615.3812866 0.27 617.4021606 0.10 619.8375244 0.06 624.1753540 1.65 624.9334106 0.03 631.5867310 0.22 632.9413452 2.77 633.6433716 0.30 639.4812012 0.06 642.1508179 0.48 646.3026123 0.83 652.4535522 0.13 654.8917236 2.16 655.6525269 0.41 656.6931763 0.22 658.3897705 0.14 659.2588501 0.07 662.4837646 0.10 663.9948120 0.70 665.4942017 0.05 668.2278442 0.99 669.1628418 0.04 675.2225952 0.19 677.0614014 7.18 677.9185181 0.26 680.0848389 0.10 686.0858154 3.84 687.1853638 0.03 690.3036499 0.18 694.4722900 0.16 695.5739746 0.03 696.7565308 0.02 697.5791626 0.11 698.8308716 1.20 699.7074585 1.48 701.7095947 0.09 707.9830933 5.75 708.7305298 0.11 710.6393433 0.14 712.4225464 0.66 713.6818848 0.15 721.4246826 100.00 722.6494751 0.69 724.4882202 0.09 725.5327148 0.13 749.0923462 0.19 763.4035034 0.10 771.6895142 0.10 780.1462402 0.10 781.2362671 0.32 789.1828003 0.13 807.6499634 0.11 825.4420776 0.08 834.0441284 0.06 850.1730347 0.08 850.7758789 0.08 851.3983765 0.17 859.5256348 0.06 866.5916138 0.15 868.0964355 0.08 869.7766724 0.08 895.4503784 0.03 896.4395142 0.04 910.5500488 0.05 912.7006836 0.15 913.3488159 0.08 921.3713379 0.18 956.6962280 0.18 958.0165405 0.17 974.6929321 0.05 983.3073730 0.35 1000.3376460 0.37 1001.7646480 0.10 1002.8518680 0.04 1018.6685180 0.04 1027.2351070 0.04 1028.3144530 0.08 1030.0000000 0.07 1042.6215820 0.04 1044.7561040 0.37 1045.5268550 0.29 1053.4962160 0.08 1062.5185550 0.06 1063.2395020 0.12 1071.1655270 0.08 1072.6159670 0.07 1087.0810550 0.15 1088.5334470 0.15 1089.1380620 0.03 1089.7415770 0.22 1090.6259770 0.18 1097.2692870 0.05 1106.4801030 0.48 1107.2100830 0.20 1115.2746580 0.03 1132.6555180 0.33 1133.5289310 0.48 1134.6900630 0.06 1135.8619380 0.24 1150.3277590 1.01 1151.0208740 0.11 1151.7393800 0.19 1159.3325200 0.14 1177.2558590 1.20 1178.3016360 0.13 1179.0122070 0.13 1185.1483150 0.07 1186.5615230 0.10 1194.4494630 1.11 1195.5770260 1.07 1203.3298340 0.27 1220.5047610 0.27 1221.4405520 0.53 1222.5555420 0.29 1238.6501460 1.05 1239.6019290 0.30 1247.1392820 0.07 1264.2008060 0.13 1264.9267580 0.38 1265.6037600 0.07 1266.5317380 0.14 1282.5532230 0.64 1283.5875240 0.43 1291.4136960 0.05 1309.0587160 0.25 1309.8110350 0.17 1311.7496340 0.07 1326.6024170 0.62 1327.7712400 0.74 1437.9329830 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 695.2758 Annotation Deutziol Peak:m/z Relative Intensity 204.4807739 0.04 205.1105957 0.28 206.2799377 0.09 217.3373718 0.03 219.2954407 0.03 227.9128418 0.04 229.1630707 0.09 230.2333679 0.06 231.1791229 0.03 247.4230957 0.02 249.2180634 0.11 249.9073181 0.01 253.2265167 0.13 259.2058411 0.02 260.3561096 0.02 265.2096252 0.93 266.1569519 0.09 267.3865967 0.10 283.2711487 9.96 284.2302246 0.77 289.2461548 0.02 291.2094727 0.01 293.2448425 0.01 301.2840881 0.07 323.4625244 0.05 344.3771057 0.01 351.4216919 0.01 353.2283325 0.05 398.4234009 0.01 405.2894897 0.03 411.3903198 0.05 471.2105103 1.04 472.3883057 0.32 497.4530640 0.07 515.3198853 100.00 516.3457642 25.95 533.4105225 0.04 575.5114746 0.09 594.3226929 0.02 605.3994141 0.01 678.1699829 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 449.2029 Annotation Unknow Peak:m/z Relative Intensity 137.0389099 0.01 143.1799011 0.03 145.0289001 0.01 147.4510193 0.02 163.0556946 0.05 164.0906372 0.02 165.1871643 0.22 166.1838379 0.02 169.0753784 0.02 178.6300049 0.05 179.2875366 0.09 179.9692993 0.00 181.3478394 0.02 189.1016846 0.39 190.2159882 0.12 191.1966705 0.13 192.1588135 0.03 207.1748047 1.81 208.2871704 0.35 209.1600647 2.93 210.1839600 0.50 225.1793823 1.12 226.1595001 0.33 227.1947937 0.10 228.2344971 0.02 233.0531921 0.05 234.2185974 0.11 251.1873779 3.18 252.2105408 0.70 269.1620178 100.00 270.1351929 17.60 270.7585144 0.05 287.2369385 1.33 288.1926880 0.28 293.3444214 0.01 294.3047791 0.01 303.3105469 0.01 311.2592468 0.03 324.0848694 0.03 328.5148315 0.04 329.4259033 0.05 371.3143921 0.02 387.0115967 0.01 388.4156189 0.02 389.3551941 0.26 390.2333679 0.01 404.1552734 0.01 406.1629333 0.02 413.2264099 0.00 419.6441956 0.02 431.2286377 0.99 432.2486572 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.1658 Annotation beta-D-Glucopyranosyl-11-hydroxyjasmonic acid Peak:m/z Relative Intensity 108.9807892 0.25 113.1204834 1.25 119.0155716 1.98 125.0081253 0.47 129.1280060 0.23 131.1551819 0.49 134.2032166 0.08 137.0125427 1.29 143.0254822 1.73 145.0461731 0.61 147.0770416 1.67 149.2779388 0.25 157.1246796 0.22 161.0971985 1.73 163.0629578 100.00 165.1373901 0.08 170.9097900 0.35 176.0076141 0.24 178.9392090 0.95 181.2058105 0.42 187.3190918 0.15 197.3178711 0.22 206.9737701 2.61 209.2142792 2.69 224.9941711 3.00 243.2113647 0.42 249.2432556 4.05 251.0351562 0.25 259.1401367 0.28 267.4358521 0.16 285.9121704 0.14 287.0463867 1.61 298.9725952 0.57 303.3732300 0.10 307.3913269 0.13 309.4322510 0.30 311.2290344 0.08 314.5233154 0.26 327.2700195 0.23 329.1744385 0.11 341.1047974 2.45 343.2956848 0.38 355.4974060 0.18 357.5116882 0.60 368.1446838 0.13 369.2475281 25.31 370.1325684 0.22 372.1478577 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 533.09 Annotation 5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide Peak:m/z Relative Intensity 156.7420654 0.05 174.8954773 6.98 342.1482544 3.25 343.2469482 0.04 353.4990234 0.08 357.1917114 100.00 399.2675781 0.13 515.1557617 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 655.1516 Annotation Laricitrin 3,5'-diglucoside Peak:m/z Relative Intensity 187.0483856 0.08 187.9002991 0.11 191.1493225 0.18 193.9023895 0.16 195.0838623 0.05 196.0338440 0.17 199.0756531 0.02 202.0297394 0.03 204.2229004 0.10 207.1521149 0.10 207.9744110 0.07 209.0948792 1.14 210.2282867 0.10 212.0145721 0.09 215.0325928 0.07 216.2702332 0.13 217.0045166 0.03 217.7906799 0.06 221.1709747 0.04 222.1746521 0.13 222.9720459 0.16 224.1041870 0.08 225.1064301 0.05 225.9538727 0.13 227.0209503 0.23 228.2233582 0.08 229.0257111 0.13 231.0561523 0.10 232.9676666 0.05 237.1879272 0.13 238.0362549 0.03 239.0314941 0.08 241.1692657 0.24 241.8793335 0.08 243.1128998 0.76 244.2697296 0.34 246.1378784 0.08 247.3258820 0.11 247.9815369 0.02 248.9648743 0.03 254.1546936 0.05 255.2438049 0.63 256.2319336 0.16 257.2831116 0.08 258.5597534 0.13 259.3022766 0.24 260.2811584 0.13 263.0569458 0.06 264.2389221 0.04 269.0360413 0.11 270.0797424 1.04 271.1072998 2.34 272.1206055 0.97 272.9177856 0.04 273.7323303 0.03 282.1170654 0.02 284.2941895 0.07 285.1737671 0.11 287.0145264 3.55 288.1540527 1.43 289.2095337 0.22 289.9818726 0.07 296.6727905 0.23 297.2965088 0.24 297.9910889 0.26 299.0855408 0.03 300.1790466 0.31 301.1412964 0.36 303.1658936 0.61 304.3163147 0.23 309.2578735 0.02 310.3178406 0.07 311.2137451 0.14 312.1968384 0.29 313.1336670 0.11 315.1028442 6.55 316.1035156 33.09 317.1087036 8.02 317.7582397 0.02 324.0231934 0.05 325.1433716 0.12 327.2646484 0.34 328.1786499 0.26 329.2236633 0.75 330.2424927 20.31 331.1339111 100.00 332.0987854 23.53 339.2673340 0.09 340.1250000 0.14 341.0218506 0.06 343.1469727 0.32 344.8208618 0.16 350.4360962 0.16 353.0289917 0.10 355.3046875 0.15 356.2053833 0.03 358.1577759 1.19 359.1174316 0.15 360.1784668 0.11 361.3696899 0.18 362.2346191 0.04 373.1676025 6.27 374.2539673 1.76 383.3139038 0.02 384.4729004 0.21 385.3988037 0.21 386.3265381 0.16 388.0333252 0.22 389.2236938 0.13 397.0340576 0.09 397.9953003 0.08 401.2377319 0.10 402.0387573 0.02 403.2005005 0.79 404.3400269 0.22 415.3618774 0.10 416.0643921 0.04 424.3788452 0.03 427.5540161 0.07 439.2779541 0.06 443.2282715 0.20 455.3249512 0.08 458.2752686 0.11 460.3576660 0.10 461.2812500 0.06 473.2889404 0.03 474.2205200 0.12 479.2040405 0.10 480.1856079 0.10 481.0629883 0.33 482.3338623 0.18 493.1953735 0.93 493.9325562 0.51 502.2160034 0.08 505.3382568 0.09 507.4735107 0.04 515.4005127 0.06 539.0750122 0.02 546.4697266 0.22 549.3937378 0.06 552.2595825 0.03 579.0581055 0.04 580.5650024 0.11 584.4633179 0.05 595.2225952 0.07 601.7623901 0.15 609.1229858 0.07 611.3756104 0.09 613.4335327 0.04 623.4747314 0.37 637.2729492 1.20 638.2971191 0.22 640.1644897 3.77 641.2712402 2.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 355.1033 Annotation Veranisatin B Peak:m/z Relative Intensity 107.1128311 0.03 113.1435699 0.02 134.1018829 1.94 142.7302246 0.03 149.0397339 1.51 150.1362152 0.03 172.0432434 0.01 174.0557098 0.43 175.0740356 0.20 178.0510406 1.51 178.9175720 0.04 191.0481415 0.02 193.0001678 100.00 202.8980713 0.07 207.1252899 0.01 209.0502625 0.24 217.1037903 0.67 220.9116211 0.06 235.1681213 0.51 237.0285034 0.16 247.1025696 0.03 249.0614319 0.03 251.2180481 0.09 254.8875732 0.02 265.2015381 1.83 275.0156250 0.03 277.3276978 0.03 279.1076355 0.03 293.1798401 0.04 295.1131897 1.49 309.2463379 0.02 311.2170105 0.18 312.2619629 0.05 313.4058838 0.06 315.3473206 0.06 319.3183289 0.73 321.0912476 0.02 327.2219238 0.05 336.6832275 0.20 337.4616394 0.35 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 636.8418 Annotation Unknow Peak:m/z Relative Intensity 182.8283081 0.51 186.2615356 0.23 189.2417755 0.28 195.2081757 0.13 197.0653229 0.40 200.0685577 0.20 202.9579010 0.18 205.1078033 0.20 207.3346710 0.76 211.0750427 0.13 213.2212219 1.34 222.3020325 0.13 223.0052185 0.16 224.2722931 0.09 227.0875854 0.50 231.2201843 0.43 236.3240051 0.23 240.0132904 0.31 241.1361694 0.11 242.0867615 0.12 243.8121033 0.90 248.4725494 0.77 250.4920197 0.10 255.0103149 1.38 256.2540894 0.81 257.1886292 0.55 258.1145020 2.18 259.0811157 0.34 259.9877319 0.20 267.1920166 0.43 270.6967773 1.37 273.2730713 0.39 275.0809631 0.59 276.1318665 0.33 279.7859802 17.55 280.8385010 1.53 283.4360352 0.29 287.2583618 0.10 290.9053650 0.20 302.1561279 0.30 308.3975220 0.27 310.3582153 0.26 311.3363037 0.59 312.9432373 0.08 329.6052856 0.51 347.4338989 0.99 356.4079590 0.30 359.3964844 0.61 368.5026245 0.81 370.1517334 0.60 381.0300293 0.32 386.4631348 3.58 387.6549683 0.71 388.2951660 0.33 393.3994141 0.20 394.8519897 0.13 402.3455811 0.10 405.1930542 0.37 415.6643677 0.48 417.0402832 0.79 428.8596191 0.70 431.3423462 0.59 439.3989258 0.37 443.3131104 0.67 449.5693970 0.36 454.1759033 0.27 455.7850342 1.08 459.5703125 0.29 460.8677368 0.72 461.9593506 0.25 466.1975708 0.16 469.4453735 0.19 472.4366455 0.15 482.2941284 0.26 483.0579224 1.04 484.0654297 0.16 487.7515259 0.27 497.5274658 0.09 507.2373657 0.10 510.5481567 0.20 522.2986450 0.18 538.4684448 0.29 540.5443726 0.53 544.5644531 0.10 551.2101440 0.54 554.9317627 0.12 558.4456787 3.73 559.4948120 2.02 565.5944214 1.79 569.3852539 1.31 573.5946655 0.07 575.2835083 1.24 576.8347778 2.93 577.6813354 0.28 578.5687866 0.53 580.1119995 4.27 581.1277466 2.43 584.3024292 2.82 585.4220581 1.33 586.8548584 2.20 587.7186890 2.31 589.4862671 1.80 590.5023804 4.54 591.9081421 1.10 593.1098022 0.36 594.0093384 1.85 594.7096558 3.80 595.9366455 2.83 597.0134277 5.00 598.3432617 3.44 599.8513794 12.04 600.9518433 0.97 602.0645752 4.65 603.2185669 6.37 604.6549683 6.24 605.5729370 2.39 607.9001465 2.15 609.5059814 7.91 610.6030884 4.22 611.9968872 3.41 613.2072144 7.22 614.0307007 10.97 614.7825317 3.58 616.2567139 11.73 617.3255005 14.65 618.1810913 0.32 619.7230835 12.66 620.5529175 5.02 621.6087036 23.96 623.0068970 20.52 624.6491089 39.31 625.7652588 20.87 626.7720947 14.02 628.0044556 21.58 628.7578125 38.93 630.0531006 23.70 630.8630371 8.00 631.7382202 2.48 634.6489868 0.29 635.3158569 0.20 636.1630249 0.30 643.1527710 0.83 645.0896606 2.06 647.8192139 1.72 650.8448486 1.21 653.0476074 2.86 655.5401611 0.16 656.4348145 2.29 657.5187378 1.37 660.0974121 0.14 661.3438110 0.93 664.6087646 2.32 665.4984741 2.75 668.9440308 0.90 670.1850586 3.53 671.9285278 2.01 674.7489624 0.53 678.2124023 0.49 681.0281372 0.63 682.1829834 0.46 684.7680054 2.42 685.3935547 0.12 686.4763184 1.69 687.4258423 0.28 688.6569214 2.21 689.9996948 0.21 691.1138306 3.08 693.4644775 5.50 694.6798706 2.61 695.4338379 3.44 696.7457275 0.67 698.1094360 2.26 699.4357910 2.29 700.5021973 1.20 702.4998169 1.85 703.6447754 3.25 705.3927002 2.36 706.8305054 3.31 708.1023560 2.42 708.9259033 2.82 711.4057007 0.16 713.0360718 1.18 714.2063599 0.29 715.3539429 1.71 716.1184692 2.23 717.0759888 2.10 718.9196167 3.74 720.0665894 1.47 721.5296021 2.52 722.4802856 0.68 724.1425171 8.07 725.0064087 2.16 727.9674072 3.84 728.6201172 0.81 729.9910278 2.42 730.6024780 1.40 731.5626831 2.61 732.2291260 4.35 732.8986816 1.38 733.5188599 1.97 734.2068481 3.33 734.9088745 0.93 735.6296997 0.70 736.7268677 2.59 738.6039429 14.65 739.5745239 2.63 741.2285767 2.10 742.4780273 3.15 743.1544800 1.00 743.8156128 2.93 744.7346802 6.76 745.8934326 5.34 746.8562012 3.95 747.7139893 2.06 748.7144165 8.22 749.3149414 6.10 749.9643555 5.33 750.8258667 5.63 752.0710449 4.73 752.9266968 1.62 754.2646484 8.31 755.8372803 4.31 756.7764282 3.13 757.6419067 4.17 758.5242920 2.54 759.6976929 4.61 760.8969116 5.23 762.1644897 8.55 763.2921143 2.75 764.0618896 3.58 764.9351807 1.65 766.0675659 8.94 766.9877930 11.31 768.1340942 5.68 768.7705688 0.37 769.5620117 0.63 771.0023804 14.53 771.8742676 4.69 772.9537964 5.48 774.4517212 2.04 775.6306763 1.75 777.2465820 0.56 778.7425537 12.38 779.6953125 0.69 781.3646851 7.91 782.1981812 0.77 786.2615356 0.94 787.2787476 2.66 789.0993042 2.01 789.7811279 1.05 791.0969849 1.20 792.2157593 13.83 793.1346436 0.24 796.3960571 0.41 797.8244019 0.69 798.8601685 0.71 800.4608765 0.65 804.6961060 2.77 805.3256226 0.49 807.2878418 1.39 807.9368286 0.28 810.5628052 1.39 812.8670654 4.16 813.5220337 0.60 814.4837036 1.50 817.8984985 4.35 818.7925415 0.66 823.7392578 0.25 825.4320679 0.89 826.8460083 6.29 827.5978394 0.41 828.2953491 0.39 829.4738159 0.69 830.6483765 0.75 832.7583008 4.51 833.6691284 0.43 835.2218628 0.54 836.4690552 0.72 837.5742798 2.04 838.2523804 1.68 838.8658447 1.14 839.5718384 0.23 840.1873169 0.60 841.8936157 3.00 842.9974976 3.01 844.1677856 2.23 845.3724976 0.62 846.1223145 2.66 847.3203735 2.01 848.9846802 1.27 850.6453247 0.83 851.3590698 2.02 852.2268066 3.37 854.9363403 5.18 855.7621460 1.12 856.6301270 0.76 857.7426147 0.08 858.5961914 1.23 859.7697754 2.61 860.5084839 3.93 861.1138306 0.75 863.4172363 1.09 864.8906250 0.30 865.8579712 1.05 866.8637085 4.67 869.7634277 21.75 870.8661499 3.25 872.3847046 0.47 873.0680542 2.94 873.6914062 1.23 875.4736328 100.00 876.3560181 41.52 877.6369629 3.21 878.9506226 4.36 880.0561523 1.22 880.8315430 0.26 883.6604004 2.15 884.3424683 1.32 889.5388794 1.45 893.0983276 4.23 894.6727905 1.41 896.3406372 1.86 898.7811890 0.43 899.7824097 1.09 900.7211914 0.68 902.3122559 1.34 904.4463501 1.45 908.1768188 3.73 909.3052368 2.46 910.4631348 1.17 911.0778809 1.10 912.2411499 0.80 913.7790527 4.06 914.7385254 4.23 921.5828247 1.14 923.6128540 1.29 924.3132935 1.00 926.4443970 2.20 927.2044067 3.72 927.9503784 1.31 929.0784302 0.56 930.9387817 0.43 932.1321411 1.79 932.9802856 11.51 933.7319336 6.50 935.8156128 0.40 937.1808472 0.57 938.4946289 0.45 941.6176758 0.98 944.5021362 0.98 957.9191284 2.09 962.4880981 1.62 963.2125854 0.91 964.8008423 0.17 968.4656372 0.50 969.3942261 2.25 975.3495483 1.98 976.5223999 0.94 980.6863403 0.39 982.6998901 1.61 984.5939331 0.76 985.5476685 0.24 990.4980469 1.14 1002.9672850 1.48 1004.7922970 0.31 1009.1020510 1.04 1010.3391720 0.24 1011.4145510 1.07 1013.1156620 0.89 1023.5549320 0.43 1040.6635740 0.33 1049.1473390 0.37 1050.5825200 0.53 1065.3596190 0.19 1074.5334470 0.18 1081.7138670 0.21 1089.0166020 0.39 1105.4736330 0.32 1106.4432370 0.69 1107.7742920 0.43 1112.0654300 1.07 1113.7479250 0.85 1127.5332030 0.65 1132.7387700 0.23 1157.0979000 0.23 1158.4844970 0.11 1164.3510740 0.43 1197.2744140 1.06 1200.0209960 0.35 1212.5731200 0.18 1221.4111330 0.08 1227.8989260 0.27 1241.5604250 0.63 1251.0469970 0.49 1260.1864010 0.51 1262.4562990 0.19 1318.4067380 0.72 1328.3721920 0.43 1400.5340580 1.21 1428.4168700 0.13 1435.8211670 0.33 1475.3150630 0.21 1571.9339600 0.43 1776.5628660 0.07 1957.6634520 0.44 1974.4454350 0.67 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 175.0247 Annotation 2-Dehydro-D-glucono-1,5-lactone Peak:m/z Relative Intensity 56.9822426 0.25 58.8038101 1.65 59.4232369 0.02 66.9074936 0.09 70.9361725 9.09 72.9272919 1.71 83.0552368 0.15 84.9429092 4.76 86.9241333 2.04 95.1091614 0.14 98.9743652 0.22 100.9603424 2.98 102.9120941 0.07 110.9656525 0.27 112.9981842 8.63 114.8402710 100.00 126.9552917 2.53 128.9537811 1.04 129.6080780 0.05 130.9101257 2.67 144.8159943 0.18 147.0035858 0.81 157.0715179 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 510.7381 Annotation Unknow Peak:m/z Relative Intensity 331.6855469 0.07 347.0942993 0.03 352.3317261 0.04 361.1502075 0.25 370.8818359 0.09 380.0170288 0.06 382.3001709 0.15 396.6987915 0.10 420.4445801 0.09 424.3711548 3.02 425.1818848 1.34 429.9702148 2.53 431.0342407 0.39 431.6535645 0.15 438.4677124 74.71 439.4060059 7.59 443.1362915 0.04 444.0708618 0.47 446.1402588 0.12 447.4037476 2.66 448.0181885 0.07 448.6231079 0.28 452.4141235 100.00 453.3158569 8.24 461.4869385 42.86 462.3740234 4.29 463.8543701 0.02 466.7588501 0.53 467.6662598 0.42 475.0396729 0.79 476.0142212 0.48 488.0405884 15.75 488.9246216 0.83 489.7228394 0.15 491.9429321 0.06 497.0629272 2.70 497.7622070 0.52 501.7573853 14.25 502.5482178 9.76 538.3057251 0.04 546.5888062 0.06 559.8299561 0.05 635.2031860 0.12 636.6933594 0.05 654.2946167 0.09 667.3762207 0.10 681.5493164 0.06 693.1906738 0.03 700.1831055 0.10 710.6137085 0.14 732.4882812 0.19 738.3514404 0.27 740.5606689 0.26 748.7638550 0.14 766.6677856 0.03 866.2915649 0.06 875.5620728 0.12 903.1394043 0.20 904.5417480 0.03 905.3981323 0.10 913.7224731 0.04 921.3517456 0.30 921.9794922 0.15 922.5907593 0.33 923.4206543 0.16 932.3566895 0.11 933.2195435 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 655.1512 Annotation Laricitrin 3,5'-diglucoside Peak:m/z Relative Intensity 192.9548950 0.04 209.1338806 0.10 221.0593567 0.04 223.1360474 0.02 227.2597046 0.04 228.1938171 0.01 229.4395599 0.10 230.2492828 0.04 238.7444305 0.02 248.7487640 0.02 266.9585266 0.02 270.1186523 0.08 271.0932922 0.12 273.3795776 0.02 282.0480347 0.04 286.2293701 0.07 287.2979126 0.05 288.1639709 0.05 297.2693176 0.14 298.3315430 0.02 299.2784119 0.07 303.3336182 0.02 308.3424072 0.02 313.1338196 0.04 314.8713074 0.03 316.1738892 0.78 326.8146973 0.07 329.1340332 1.34 330.5775146 1.41 331.2797852 13.13 333.3720093 0.04 341.1362305 0.13 343.1020508 0.05 345.3354492 0.12 346.4708862 0.05 353.1495361 0.28 355.1459961 0.19 358.2982788 0.12 359.3061523 0.01 368.3131714 0.04 371.1915283 0.59 372.0974731 0.31 373.2182617 1.80 381.3316650 0.04 387.3948364 0.07 388.4140015 0.03 394.0705566 0.05 399.4309692 0.07 400.9264526 0.08 403.3289795 0.23 404.9191284 0.01 411.3582764 0.07 414.3636475 0.01 417.1497192 0.04 429.2790527 0.12 433.3538208 0.11 439.4317017 0.06 446.0242920 0.02 449.2728882 0.02 450.4588013 0.11 460.4873657 0.15 464.0238037 0.07 465.2599487 0.18 474.1937256 0.12 475.3101807 0.15 477.1524658 0.13 478.2558594 0.52 479.5457153 0.07 489.3502808 0.04 492.1707153 12.97 493.1967773 100.00 494.3060913 0.28 504.5663452 0.03 505.1737061 0.03 506.2105103 0.20 516.8798218 0.03 517.5158081 0.05 520.1143799 0.14 521.0945435 0.02 522.0430908 0.01 525.1851807 0.02 533.1629639 0.25 534.0736694 0.10 535.2131348 4.05 535.8200073 0.12 539.2902832 0.05 540.3082275 0.13 541.2775269 0.03 557.9855347 0.02 565.3920288 0.16 577.3038940 0.06 592.3197632 0.12 593.4351196 0.07 594.2249756 0.03 595.1110229 0.02 605.4633179 0.07 607.5939331 0.04 609.2127075 0.09 610.1964111 0.02 611.2266235 0.08 622.1843262 0.04 623.3814697 0.14 625.3060913 0.15 637.2186890 1.42 638.5776978 0.05 640.2796021 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 461.2038 Annotation Unknow Peak:m/z Relative Intensity 134.7679443 0.12 136.9582520 0.02 148.8259583 0.02 155.8705750 0.41 178.0493317 0.04 180.0380249 0.05 182.0202637 0.13 183.3612061 0.03 193.1143799 0.05 193.9127502 0.05 211.2482605 0.14 218.9485474 0.05 221.0422974 0.26 223.2835236 0.17 229.2806091 0.15 230.1120300 0.04 239.0609283 0.22 252.8876953 0.14 253.5058289 0.02 254.2616272 0.27 269.2059326 0.03 270.0002747 0.05 290.0853882 0.07 295.3719788 0.11 297.4692078 0.17 298.7326660 0.09 299.3646851 0.06 299.9941711 0.02 301.1687927 0.04 306.2727356 0.13 310.0479736 0.01 311.1536255 0.18 315.0135803 0.02 315.8822021 0.03 319.3828125 0.03 320.0221863 0.08 328.2135925 0.04 332.7883301 0.09 333.8357544 0.15 337.2672424 0.05 338.7186584 1.40 341.3558350 0.04 342.9779663 0.28 347.2377319 0.90 348.0288086 0.15 356.8994141 1.64 357.7948303 0.13 362.3777161 0.02 365.8767700 0.18 370.1119385 0.24 370.9750671 2.29 372.0010681 0.39 374.3913574 0.07 376.0385437 0.29 377.4896240 0.08 379.6649475 1.25 380.3607178 0.24 381.0385132 0.56 385.8136292 0.35 387.9546509 0.07 390.9142456 0.31 394.6942139 0.18 397.3879089 0.06 401.3684998 0.41 402.1362610 0.20 403.2512512 1.28 403.9634705 0.80 404.8456116 0.65 406.5827942 0.55 408.4386902 0.25 412.1819153 0.24 414.8906250 0.33 415.9302063 1.17 417.1885681 4.37 417.9390869 1.30 418.5975037 0.04 421.4201660 0.20 422.7528687 0.13 424.5169983 20.28 425.5169983 32.11 426.3854980 2.87 427.3119202 0.08 428.5435486 0.32 429.9196777 6.21 430.9753113 1.39 432.1747742 0.37 433.4205627 0.11 435.3488159 0.09 438.3025818 48.48 438.9315796 35.06 439.8534546 0.93 440.8598938 0.52 442.9872742 0.44 444.1024475 1.77 444.8190308 0.41 445.7537842 0.08 447.4530334 100.00 448.3403625 11.23 449.5820007 0.21 452.5182495 25.62 453.4128113 6.83 454.2669373 0.05 457.7988586 0.09 468.1419983 0.04 471.8115540 0.08 472.6167297 0.04 473.5392761 0.16 480.3733521 0.05 499.2131042 0.03 502.5610962 0.02 503.2475281 0.07 511.4614868 0.06 515.5792236 0.07 520.3862915 0.64 521.4400024 0.16 522.2797241 0.06 525.3359375 0.02 529.7172241 0.11 530.5585327 0.04 537.2664795 0.12 537.9852295 0.07 547.2451782 0.13 555.4179688 0.17 556.1852417 0.04 575.7456055 0.05 579.4883423 0.03 593.1622925 0.07 593.9669800 0.09 603.4440308 0.24 604.2434082 0.16 608.7230835 0.03 616.5203247 0.04 620.4269409 0.09 621.4927368 0.13 636.4407959 0.10 651.3906250 0.09 652.5464478 0.13 654.2159424 0.06 658.5587769 0.06 665.4750366 0.08 666.2952271 0.03 676.1099854 0.22 677.4309692 0.08 680.4303589 0.05 682.6294556 0.06 687.4390259 0.04 688.1063232 0.08 694.5401001 0.02 695.3967896 0.03 696.2483521 0.12 710.5014038 0.08 712.5263062 0.14 713.7197266 0.05 715.4697876 0.05 717.5955200 0.05 721.5610352 0.07 723.4487915 0.05 725.5565796 0.10 734.6449585 0.02 737.9133911 0.15 738.5515747 0.52 739.3392944 0.18 740.3546753 0.66 745.6343384 0.04 748.0515747 0.03 749.6443481 0.04 756.5265503 0.34 757.4906616 0.56 759.3281860 0.05 761.3633423 0.04 774.3038330 0.03 775.4149780 0.03 780.7002563 0.19 782.4518433 0.14 784.6181030 0.28 790.2741089 0.24 794.6140747 0.27 801.8046265 0.03 804.7390137 0.11 805.4895630 0.39 806.7050781 0.68 807.7289429 0.04 808.8015747 0.04 812.4824829 0.20 813.3696899 0.03 814.4062500 0.09 822.5400391 0.37 823.5138550 0.09 824.3015747 0.10 833.3174438 0.45 834.8280640 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 505.0988 Annotation Quercetin 3-(6''-ethylglucuronide) Peak:m/z Relative Intensity 156.9373779 0.35 174.9685364 19.16 263.3496704 0.09 301.1518555 0.50 314.0670776 2.47 315.0504761 0.22 323.2337952 0.13 329.1105957 100.00 341.2286987 0.15 343.2369385 0.22 345.4098206 0.10 355.1456604 0.10 371.0941162 0.64 396.8567505 0.10 399.1063232 0.08 408.6072083 0.36 425.2183533 0.13 458.2537842 0.04 459.4349976 0.39 461.3220520 0.09 467.2740784 0.09 469.1118774 0.30 473.3130188 0.24 487.2158508 0.68 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 551.1768 Annotation Lactucaside Peak:m/z Relative Intensity 165.0290375 2.80 175.9281921 0.27 178.0530548 3.66 179.9982147 0.11 181.0825806 0.11 191.1486816 0.37 193.0158539 59.02 193.9073944 0.09 195.1154022 8.04 207.3869781 0.05 216.9939880 0.21 233.0252228 0.05 235.1343384 0.65 250.2435455 0.11 259.2399597 0.11 285.2789917 1.33 287.3109131 0.03 295.4157104 0.08 296.9434204 0.05 304.3202515 0.06 307.0733032 0.17 313.1746216 0.20 323.0491333 0.25 327.3200684 0.14 341.1761475 6.66 345.2656250 0.58 354.7442017 0.05 356.4063721 0.09 357.0827026 0.18 365.0366211 0.06 370.4419556 0.24 371.2391357 0.55 372.2503052 0.24 374.9146729 0.04 376.4255981 0.05 383.4109497 0.24 387.3064575 0.19 389.0828857 100.00 389.6954346 0.43 404.3616943 0.04 413.3833008 0.13 425.0047607 0.06 431.1890869 1.76 443.2828369 0.03 445.1627808 0.12 449.3402710 0.06 461.0734253 0.43 467.9103394 0.09 475.3115845 0.16 489.3404541 0.04 490.8970947 0.78 491.6156616 0.07 501.6832886 0.04 505.1124878 0.17 505.7671509 0.04 506.4514160 0.14 507.5590210 0.24 514.1133423 0.11 515.2451782 0.04 517.1754761 0.08 518.3365479 0.32 519.3500366 0.48 530.2393799 0.12 532.1227417 0.15 533.2233887 0.50 536.4359741 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 521.13 Annotation Sudachiin A Peak:m/z Relative Intensity 174.9854584 0.42 193.0387878 0.11 215.2313232 0.14 221.1307983 0.06 239.3399658 0.07 279.3483276 0.07 284.9254761 0.04 287.2388306 0.03 311.2280273 0.03 315.0427856 0.19 317.6375732 0.04 323.1879883 0.05 324.6320801 0.04 326.4769897 0.04 327.9817505 0.07 329.1429443 0.97 330.1552734 1.35 340.1871338 0.08 343.0917969 4.98 344.0756836 14.80 345.1749268 78.59 347.4274902 0.14 349.1264038 0.03 359.1066284 100.00 360.1486206 0.38 366.1646729 0.17 369.0699463 0.12 372.0324097 0.40 373.2332764 0.17 381.3059692 0.65 386.2578125 0.25 387.2398682 0.04 391.0635376 0.04 401.2557373 3.64 413.0725098 0.03 416.2122803 0.04 425.2190552 0.26 431.5252686 0.11 443.0405273 0.04 444.3069458 0.48 445.1021729 0.16 448.3138428 0.17 459.0666504 0.16 460.3444214 1.00 463.2027588 0.17 475.0648804 0.22 476.3253784 0.16 479.3496704 0.08 485.0928345 0.12 486.6344604 0.06 488.3334961 3.52 489.3113403 0.93 491.3805542 0.42 493.3370972 0.20 498.0222168 0.09 502.3964233 0.29 503.3410034 0.38 506.1755371 59.46 507.2391968 0.42 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 657.1656 Annotation Laricitrin 3,5'-diglucoside Peak:m/z Relative Intensity 188.1390076 0.01 211.1679993 0.02 246.9028015 0.01 249.1152039 0.01 255.1636810 0.01 271.0607910 0.01 289.3140564 0.04 308.9455566 0.05 313.0607300 0.08 315.2613220 0.07 318.1555786 4.14 325.1870117 0.01 333.0976562 100.00 350.5867920 0.03 359.2177734 0.02 375.1532593 1.00 399.1943359 0.04 430.3727417 0.02 441.2164307 0.09 447.0701294 0.01 448.3244629 0.03 460.9801025 0.06 462.3104858 0.14 466.2310181 0.01 477.1375732 1.57 479.7434082 0.33 480.3799438 0.28 481.2265015 0.07 487.5020142 0.02 495.0567017 9.90 495.8438110 0.02 520.9369507 0.03 528.1994629 0.01 537.1021729 0.01 554.5082397 0.03 560.5220337 0.04 567.3928223 0.02 588.4187622 0.01 590.5164185 0.05 606.4287109 0.04 619.9937744 0.07 624.0339966 0.06 625.4655151 0.09 627.3898926 0.01 636.2761841 0.05 637.1076050 0.05 638.0021362 0.19 639.2960815 0.07 640.2516479 0.06 643.8872681 0.09 648.6091309 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 386.107 Annotation Zeanoside C Peak:m/z Relative Intensity 118.8389587 0.40 120.7736282 0.21 122.0705948 0.16 122.9731216 0.07 133.0031128 0.50 134.0408936 0.55 135.9854889 6.03 146.9571686 2.89 150.8586426 0.14 156.9219055 0.29 162.9886627 0.10 164.9881897 13.15 170.8236389 0.17 173.9916992 0.08 177.5120850 0.11 178.1695862 0.13 182.0908508 100.00 183.7630005 0.06 187.1421814 0.24 189.1140442 0.16 199.3474274 0.11 200.1622467 0.35 202.9171753 0.06 204.0130768 0.19 205.0998535 0.62 217.0225220 0.11 219.0290222 0.38 223.8976746 2.05 232.3481140 0.09 235.1928101 0.38 238.4364929 0.10 240.3658142 0.18 241.2592163 0.10 249.1126709 0.19 250.0899353 1.20 251.1074219 0.59 254.9885864 0.09 265.3473206 0.26 279.0092773 0.10 283.1638489 0.18 284.8777466 0.66 295.1395874 0.29 297.2971191 0.10 299.2368774 0.12 300.1241150 0.07 304.8913879 0.66 312.5835571 0.25 323.3634033 0.12 324.3369751 0.09 327.1718140 1.61 328.1227112 0.14 328.9674072 0.12 339.4675293 0.82 340.2938843 0.50 341.4738159 0.20 345.2633972 0.16 348.3307800 0.14 350.4855957 0.32 352.2335815 0.35 355.0779419 0.13 358.1971130 0.58 367.1094360 1.21 368.2320251 1.71 369.0381165 0.59 376.3163452 0.17 377.8902588 1.49 397.3699951 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1001.4613 Annotation Unknow Peak:m/z Relative Intensity 315.1732483 0.01 323.3211060 0.16 331.3380737 0.01 336.6671753 0.01 347.4724121 0.01 348.2500000 0.01 349.3891602 0.04 361.4680176 0.05 363.3165283 0.21 365.4030762 0.16 366.3799438 0.02 371.3049927 0.01 375.5657959 0.13 376.6944885 0.02 377.4110107 0.13 379.3927002 0.12 381.7130737 0.06 387.0792236 0.05 391.4540405 0.10 392.4529419 0.01 393.5695190 0.08 394.5146179 0.01 403.5124512 0.16 405.3812256 0.41 406.5220032 0.13 407.5236206 0.01 409.3846741 5.73 410.3625488 1.05 411.3110046 0.04 412.5076294 0.02 418.9203491 0.03 419.5983276 0.05 421.4149170 1.85 422.4634094 0.33 423.6337891 0.08 425.4620361 6.40 426.4154358 1.09 430.4085083 0.02 435.3469238 0.03 437.4502563 5.75 438.4048767 0.88 439.4713135 2.39 440.5198364 0.26 441.5033264 0.02 449.4248352 0.03 450.4638367 0.02 453.5425720 0.12 454.4648438 0.01 455.4598999 2.73 456.5606689 0.41 457.5556641 0.13 458.6568604 0.03 465.3513489 0.74 466.3655701 0.15 481.2809753 0.53 482.1704102 0.03 483.4498291 15.18 484.4272766 2.27 485.0964355 0.01 499.2633667 8.90 500.2666321 0.60 501.4147339 100.00 502.4679565 16.56 517.2382812 0.07 518.2823486 0.02 587.3031006 0.02 661.8048096 0.01 675.2858887 0.02 692.4639893 0.02 752.3687744 0.01 765.8253174 0.03 790.8321533 0.02 793.7097168 0.01 795.6363525 0.02 809.2841797 0.03 825.4886475 0.14 826.5394287 0.02 837.4206543 0.03 839.1217041 0.03 840.3264160 0.01 841.4749756 0.33 842.3572998 0.04 851.5441895 0.05 853.8007812 0.01 866.6362305 0.05 881.6962891 0.11 899.4915771 0.21 916.6613770 0.01 921.4157715 0.02 940.4349365 0.01 942.2473145 0.01 953.1036377 0.05 957.3874512 0.51 958.5302734 0.07 969.3786621 0.01 973.4780273 0.01 976.4937744 0.02 982.3461914 0.01 983.8059082 0.02 984.6325684 0.05 986.3488770 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 191.0196 Annotation Diketogulonic acid Peak:m/z Relative Intensity 85.0599670 0.33 87.0231018 1.05 100.8563385 0.05 110.9075623 100.00 112.0460358 0.04 128.9789886 2.12 130.9424133 0.85 154.9977264 0.44 172.9288788 21.35 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1287.3491 Annotation Majidine Peak:m/z Relative Intensity 368.4239197 0.03 372.1095581 0.09 403.4648438 0.13 470.2274170 0.06 500.4237671 0.02 505.3093872 0.20 527.2392578 0.03 578.4401855 0.02 619.4455566 0.03 625.4014282 0.09 637.2896118 0.16 651.3638916 0.09 655.2298584 0.35 657.3952637 0.04 681.1855469 0.01 709.3901367 0.05 711.2991333 0.10 743.5570679 0.02 752.3253174 0.05 764.2377930 0.09 769.2966919 3.15 772.0109863 0.10 783.2875977 0.03 785.3735352 0.09 787.2882080 48.39 787.9278564 0.14 801.2005005 2.80 801.8457642 0.02 813.0381470 0.08 831.3717041 0.51 849.9661865 0.02 852.9597168 0.02 871.1644287 0.11 873.5217285 0.05 878.5261230 0.09 879.3736572 0.04 902.2962646 0.02 926.0477295 0.35 926.6820068 0.03 927.2841797 0.05 931.1447754 0.35 945.3654785 0.05 948.2667236 0.07 949.4833984 0.04 963.2380371 100.00 963.9584961 0.44 979.2091064 0.14 980.4650879 0.05 1019.1735840 0.03 1047.3386230 0.08 1058.8244630 0.05 1088.3569340 0.32 1093.3784180 0.88 1107.2312010 0.41 1111.3789060 4.59 1125.3931880 0.57 1137.4169920 0.04 1138.2425540 0.11 1153.8505860 0.04 1155.3489990 0.55 1165.1025390 0.09 1197.3309330 0.02 1204.8104250 0.07 1211.4515380 0.06 1242.4719240 0.31 1243.6503910 0.05 1251.7518310 0.02 1268.5926510 0.04 1269.4108890 0.11 1272.2158200 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1039.1643 Annotation 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide Peak:m/z Relative Intensity 297.0597839 1.57 297.8992615 0.25 299.1103821 5.64 300.2204895 1.69 301.0579529 1.08 327.0759277 4.44 328.1398926 31.24 329.1031189 9.31 343.1078186 54.78 344.1835632 27.55 346.9581299 1.01 386.4111328 0.61 519.0786133 100.00 520.1209717 89.29 839.3009033 0.68 863.4813232 2.12 864.5181885 0.23 952.4340820 0.59 957.9160156 0.48 960.9619141 1.32 962.3587646 0.44 995.2043457 1.94 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 971.4138 Annotation Unknow Peak:m/z Relative Intensity 307.8750000 0.11 439.5954590 0.44 440.6080933 0.35 470.8528442 0.20 471.5976562 0.64 483.2407227 0.04 484.1124878 0.04 499.3638916 0.66 501.2459717 0.04 559.6324463 0.06 625.6727905 0.04 629.7816772 0.39 663.5963135 2.96 664.4340210 0.45 677.5133667 0.54 688.6797485 0.13 765.7489014 0.33 777.2588501 0.29 791.2633057 0.11 807.2738647 0.08 807.9368286 0.04 809.6264038 0.84 810.6243896 0.07 811.6508789 0.47 821.2830200 0.09 839.4337158 100.00 840.4204712 32.15 841.3015137 0.12 851.3145142 0.73 867.8370972 0.09 869.1894531 0.19 895.3732300 8.53 896.4003296 3.40 909.7831421 0.24 927.5159302 1.74 928.5692749 0.12 939.9697266 0.05 953.4348755 4.05 954.2506714 0.89 954.8965454 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 990.4247 Annotation Unknow Peak:m/z Relative Intensity 279.7481384 0.11 280.9766846 0.03 282.2709961 0.76 282.8757019 0.04 283.5179749 0.04 286.2581482 0.03 290.3651733 0.07 293.2538452 0.05 295.1217957 0.08 295.7329102 0.06 297.2315063 0.07 299.3080139 0.23 300.1756592 0.02 301.4240723 0.09 305.0830688 0.08 307.0136719 0.10 308.2705688 0.02 313.1354370 0.37 314.3185425 0.18 316.3974915 0.04 318.0804443 0.01 320.2227783 0.13 321.3789673 0.17 324.1550293 0.03 326.1312561 0.05 336.2256470 0.66 337.2941284 0.17 338.4970093 0.06 339.3970337 0.01 344.0204163 0.08 344.6530762 0.07 349.3738708 0.05 351.9525146 0.03 353.3466797 0.20 354.2784119 0.04 355.4448242 0.86 356.2913208 0.31 358.4772034 0.14 360.6072388 0.04 362.2681885 0.15 364.2503052 0.08 372.1606445 0.27 374.1562805 0.12 375.0645447 0.05 389.1630249 0.13 390.1930542 0.10 392.5760193 0.06 393.1853943 0.01 396.4603882 0.09 398.3875122 0.10 399.1522827 0.08 400.2675781 0.03 401.2956238 0.05 405.1772461 0.05 408.4455566 0.03 409.3417053 0.07 412.4607544 0.06 415.7821960 0.32 416.3856812 1.48 417.4071655 0.36 418.5010376 0.16 419.5072632 0.02 420.2419434 0.05 421.3743591 0.20 423.4323730 0.02 425.3350220 0.42 430.4394226 0.12 432.9295959 0.09 434.3967896 0.08 437.6618652 0.07 438.3172607 0.38 439.3492432 0.22 441.2979431 0.11 442.3360291 0.89 443.4449463 0.32 444.5409851 0.10 448.8964844 0.12 454.2584229 0.23 455.2705688 0.02 456.0946045 0.07 459.5227051 0.04 463.2552185 0.02 468.2694702 0.05 469.1491699 0.06 470.2468567 0.09 471.0755310 0.07 473.3013611 3.09 474.3273315 0.40 475.3188782 0.08 476.5741882 0.08 477.4818420 0.01 478.3657227 0.10 480.3833923 0.11 481.3165283 0.10 482.3338623 0.05 483.5907593 0.24 487.0873413 0.03 488.3075562 0.07 492.4750671 0.08 493.6165161 0.04 497.3253784 0.07 498.6025391 0.42 499.4564819 0.77 500.3840637 0.21 501.2497559 0.08 502.4868774 0.03 505.3383484 0.11 507.5290527 0.02 509.5340576 0.18 511.3753662 0.27 512.0938721 0.27 515.3842773 0.10 516.3199463 0.30 517.1929932 0.11 518.3671875 0.05 520.2274170 0.03 521.4404297 0.04 524.1801758 0.99 525.4515381 0.36 526.7708740 0.06 528.3054199 0.18 529.2148438 0.11 530.1525879 0.10 531.2941895 0.11 532.4865723 0.21 533.4465332 0.09 534.2404785 0.24 537.6125488 0.03 539.8582764 0.24 540.4643555 2.88 541.4363403 0.50 542.4415283 0.55 543.3648682 0.09 544.5483398 0.06 545.2585449 0.03 546.3082275 0.12 547.2314453 0.02 548.1765137 0.26 549.3837891 0.19 550.4036255 0.13 551.4449463 0.14 552.3897705 0.82 554.5449219 0.18 555.4240723 0.38 556.3453369 0.57 557.3618164 0.07 558.4578247 0.05 559.2433472 0.18 560.3314209 0.13 561.5534668 0.19 562.9995117 0.05 564.3272705 0.15 566.7070312 0.03 568.3015137 0.04 569.4340210 0.05 572.3081055 0.54 573.4715576 0.56 574.2890015 0.02 575.5914307 0.09 576.2531128 0.07 577.4753418 0.91 578.3975830 0.23 581.4429321 0.03 582.4554443 0.03 583.6968994 0.03 585.1235352 0.03 587.4776001 0.06 589.3229980 0.45 590.3049316 3.36 591.3685303 1.24 592.7572021 0.08 593.4838867 0.13 594.3930664 0.25 595.2958374 0.16 596.5498047 0.09 597.6005859 0.04 598.3984375 0.10 599.4555664 0.12 600.3602295 0.20 601.7484131 0.05 602.4462891 0.21 603.4522095 0.15 605.5683594 0.07 607.3702393 3.20 608.3955078 1.89 611.3289185 0.13 613.4983521 0.04 614.3068848 0.10 616.2648926 0.44 617.5493774 0.08 618.4571533 0.27 619.5168457 0.69 620.4461670 0.44 621.6072388 0.07 623.3195190 0.24 624.2111816 0.22 625.5755615 0.13 628.3911743 0.02 629.4182129 0.39 630.3847656 0.05 631.2617188 0.11 632.6390381 0.09 633.7245483 0.47 634.4360352 7.74 635.4650879 2.11 636.3546143 0.09 637.3971558 0.21 638.5258179 0.61 639.6387939 0.39 640.4866333 0.18 641.3031006 0.29 642.2343140 0.06 644.4913330 0.36 645.2727051 0.10 646.4201660 15.48 647.4404297 6.15 648.6882324 0.37 649.6149902 0.91 650.4718018 0.66 651.5221558 0.12 652.7310791 0.05 656.2525635 0.36 657.4943237 0.07 658.5594482 0.59 659.3891602 5.26 660.4659424 2.85 661.3801270 1.32 662.4969482 2.40 663.4614258 0.84 664.4975586 0.09 666.6519165 0.30 668.0905151 0.17 670.5142822 0.21 672.4002075 0.10 673.3063354 0.08 674.5020752 0.05 675.4782715 0.23 676.2200317 0.06 678.0914307 0.14 678.7402344 0.11 679.4932251 0.04 681.6447754 0.02 682.6857910 0.14 683.5464478 0.24 684.4078369 0.38 685.3876953 0.07 686.6935425 0.45 687.5958252 0.35 692.5122070 0.15 693.4980469 0.15 695.1394653 0.14 696.3662109 2.28 697.4874878 1.04 698.6228027 0.03 700.7097778 0.06 703.0164795 0.06 706.3078613 0.23 707.4523926 0.23 708.6205444 0.01 710.4607544 0.59 711.5780029 0.47 713.3892822 5.38 714.3577881 2.93 716.5378418 0.01 719.4368896 0.02 720.4028320 0.02 721.4494629 0.25 724.4512939 0.18 725.5275879 0.27 727.4855957 0.52 728.6056519 0.13 730.0789795 0.08 731.4537964 0.42 732.3673706 0.40 734.2532349 0.03 735.2515259 0.14 737.4738159 0.14 738.4672852 0.62 739.1985474 0.12 743.3908691 0.03 747.1561890 0.04 748.4135742 0.17 749.4812012 0.23 752.2967529 0.07 754.4427490 0.43 755.2935791 5.54 755.9080811 0.18 756.5095825 2.84 758.4442139 0.22 759.7098389 0.06 760.5289307 0.02 763.3073120 0.10 766.0555420 0.05 769.1417847 0.02 770.5008545 0.06 772.5157471 0.78 773.5822754 1.25 774.4738770 0.76 777.6679688 0.08 778.5738525 0.05 782.6125488 0.12 786.5308838 0.01 787.5651855 0.07 790.4118652 4.52 791.3956299 1.69 792.5438232 0.06 794.4146729 0.22 795.4350586 0.10 799.3587646 0.11 800.3675537 0.05 801.7467041 0.06 802.4022217 0.02 806.0452881 0.02 807.3753662 0.65 808.5272217 0.28 811.4268799 0.03 812.5017090 0.09 813.5354004 0.12 815.1633301 0.07 816.5808105 0.03 817.7297363 0.25 818.6145020 0.16 819.6494141 0.33 820.3726807 0.34 821.5867920 0.17 823.3035889 0.21 824.8688965 0.20 825.5928955 0.41 826.5957031 0.08 827.3297119 0.06 829.4024658 1.70 830.4183350 0.66 831.4548340 0.26 832.3804932 0.18 834.3430176 0.03 835.7612305 0.02 837.3674316 0.10 839.6727295 0.11 843.2382812 0.05 843.8662109 0.13 854.8637695 0.34 856.2728271 0.99 857.3865967 0.36 858.8842773 0.04 859.9887695 0.04 862.3980713 0.01 863.4289551 0.02 865.0435791 0.09 865.7009277 0.08 866.3720703 0.07 867.4300537 0.11 868.8291016 0.04 873.3947754 4.45 874.4964600 1.37 875.5354004 0.19 880.2263184 0.20 881.6306152 0.04 882.5863037 0.32 883.6413574 0.05 884.4091797 0.08 885.7308350 0.04 890.2559814 0.02 899.4045410 0.57 900.4544678 1.14 901.2288818 0.34 901.8618164 0.02 904.5277100 0.10 907.3007812 0.93 908.5457764 0.31 913.3668213 0.72 914.5426025 0.23 919.2270508 0.04 920.3944092 0.03 924.4223633 5.02 925.4608154 3.02 926.4829102 0.56 929.6812744 0.02 930.3927002 0.67 931.5928955 0.47 937.4616699 0.22 938.3333740 0.07 942.5040283 12.28 943.5816650 5.45 946.8444824 0.26 948.4360352 15.89 949.5729980 10.13 955.3300781 1.02 956.2924805 1.20 959.1762695 0.03 963.9143066 0.05 973.3947754 100.00 974.4621582 50.92 975.1735840 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 663.2665 Annotation 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside Peak:m/z Relative Intensity 309.2230225 0.01 324.3709717 0.03 334.2817993 0.01 339.5201721 0.01 413.3151855 0.01 450.5892944 0.03 453.3154907 0.03 462.3999023 0.39 471.7476196 0.03 482.2161865 0.02 483.4385986 0.07 485.4808960 0.03 486.4017334 0.02 487.4696045 0.01 494.3900757 0.03 506.3027344 0.05 521.3222656 0.04 531.3352661 0.01 559.4183350 6.46 587.7548218 0.01 591.5364990 0.01 601.3835449 4.27 603.2202148 0.27 617.2156372 0.01 619.3204346 100.00 620.0292358 0.25 624.6947632 0.05 627.3247681 0.04 631.1740723 0.10 632.0802002 0.04 639.3504639 0.04 645.4047852 1.15 646.4396362 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 551.1767 Annotation Lactucaside Peak:m/z Relative Intensity 161.1697693 0.14 162.8549500 0.05 165.0644836 0.77 174.0088806 0.04 175.1809540 0.35 175.9873962 0.53 178.1419983 0.38 181.0682678 4.86 189.1575928 0.12 191.0690002 1.54 193.0898590 9.93 195.1025848 1.59 202.0679321 0.05 207.1940918 0.25 217.0562134 0.35 220.1451721 0.08 233.2079163 0.06 235.1281586 5.30 237.1307068 0.04 247.1154175 0.23 267.1409912 0.03 277.2638550 0.14 283.2841797 0.17 288.2789612 0.09 295.2940674 0.04 297.0795288 0.08 300.1902466 0.03 319.3046875 0.16 321.3930054 0.04 323.1315308 0.32 327.4005737 0.47 329.2371826 0.03 337.1028442 0.12 339.0978394 0.36 341.2263794 1.89 343.1158447 0.13 347.2672119 0.19 351.0953369 0.07 355.1667480 0.85 356.9661865 0.11 370.1672363 0.09 371.1038208 0.54 373.1063843 0.04 383.2437134 0.64 387.2926636 0.07 389.2249756 100.00 399.1799927 0.10 403.2195435 0.17 413.4148560 1.69 419.0236816 0.57 429.2692261 0.09 431.2377319 7.39 447.2554932 0.06 449.1578979 0.05 459.3697510 0.03 460.8803711 0.82 463.4039307 0.15 473.4636841 0.32 485.0554199 0.08 488.9428101 0.06 491.0608521 1.57 503.3053589 0.13 505.4729614 0.48 512.1974487 0.07 515.1764526 0.05 518.3155518 0.07 519.1192627 0.03 521.2691040 0.11 525.4609375 0.04 528.1851807 0.20 532.1322632 0.29 533.3522339 0.70 533.9892578 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 687.36 Annotation Unknow Peak:m/z Relative Intensity 287.3423462 0.04 323.1849670 0.03 324.1542969 0.02 325.3439331 0.04 326.2043457 0.04 343.1785889 0.10 346.8152466 0.01 432.4125366 0.04 450.6669312 0.02 457.2236938 0.05 461.5861816 0.08 479.6102905 0.11 481.4227905 0.06 491.1355591 0.02 492.7363892 0.07 506.5800171 0.02 509.4080811 0.69 510.4035034 1.72 511.5182495 0.44 524.6705933 0.06 538.5792847 0.02 543.0524292 0.05 555.7108765 0.01 609.4351196 0.05 623.4348755 0.03 624.5545044 0.11 625.1629028 0.03 626.6012573 0.09 627.6798706 0.02 639.6361694 0.07 641.4112549 100.00 642.0940552 0.20 643.4236450 0.03 654.3771973 0.05 655.4092407 0.11 668.4614868 0.20 669.6438599 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 629.1715 Annotation Unknow Peak:m/z Relative Intensity 176.8953247 0.02 185.2632751 0.03 187.1381531 0.03 188.9259186 0.84 199.1378326 0.10 211.1238708 0.09 212.9059448 0.03 217.1950989 0.11 223.3230133 0.08 227.3378143 0.04 228.5605011 0.05 233.0800476 0.19 235.4382019 0.15 239.0397491 0.08 241.0325928 1.22 242.8590393 0.04 245.0571594 0.28 251.0895233 0.09 257.2243958 0.28 258.9479370 2.70 261.2067261 0.04 265.2195435 0.07 269.1038208 0.87 270.5000610 0.03 275.0386353 0.09 281.2611694 0.02 285.0344238 0.24 287.0750122 6.16 291.2363892 0.17 296.9935303 0.06 298.6699219 0.38 299.6266479 0.09 303.0478516 0.34 305.0684204 11.57 306.1022949 0.16 307.0902100 6.84 308.2183838 0.15 309.5245361 0.11 311.3102722 0.03 321.4506226 0.11 322.9147949 3.15 324.2189941 0.19 331.2086182 0.12 332.4790649 0.51 333.1130371 1.08 334.9640503 0.22 353.1674194 0.09 355.1687012 1.08 365.0555420 0.20 367.3744507 0.09 371.2539062 0.18 371.9643555 0.03 386.7772827 0.07 389.0011597 0.27 397.2903442 0.36 415.0953369 0.85 419.1888428 0.28 420.7504883 0.08 425.0317993 0.09 426.9121704 0.09 432.9722900 0.08 443.0684814 0.40 445.4364014 0.03 448.9890137 0.09 450.0571899 0.03 451.0919189 1.67 453.3262939 0.36 456.9258423 0.09 458.6843262 0.16 459.4093018 1.08 460.0951538 0.02 460.9373779 0.47 461.5801392 0.07 466.4286499 0.04 467.2550659 0.07 468.3674316 0.29 475.1016846 0.21 477.9832764 0.05 478.9437866 3.19 479.6676025 0.23 484.1918335 6.37 489.0083008 0.10 493.4157715 0.12 497.0465088 0.20 513.3781128 0.09 518.7882690 0.08 523.4931030 0.40 528.7308960 0.08 535.3804321 0.29 537.7145386 0.10 538.5615845 0.04 555.1913452 0.26 555.8384399 0.09 562.8038940 0.39 568.1406860 0.03 573.0308838 0.19 575.5617676 0.15 580.2704468 0.19 583.7725830 0.10 584.7948608 0.08 589.0833130 0.08 591.0508423 0.31 594.5736694 0.05 595.3590698 0.77 608.9382935 0.19 609.8596802 0.08 610.7301636 0.36 611.3363647 1.28 613.1785278 100.00 614.3494873 0.78 615.2606201 0.56 616.4751587 0.11 617.3291016 0.04 620.2521362 2.35 622.1735229 0.03 623.0916748 0.08 641.1068115 0.07 644.5380249 0.05 675.4048462 0.12 789.3678589 0.07 806.0588989 0.30 872.9683228 0.07 917.1901855 0.45 935.1029663 1.62 956.6848755 0.15 957.5623169 0.07 963.3581543 0.17 1124.5417480 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 355.1035 Annotation Veranisatin B Peak:m/z Relative Intensity 112.9582748 0.31 123.0873718 0.21 124.9299088 0.12 127.9670792 0.08 134.0380249 4.46 135.0714722 0.08 142.9347839 0.05 148.9955444 0.88 159.9813080 3.33 161.0379486 0.04 175.0834961 38.77 176.0299988 0.19 177.2507629 0.11 178.1417542 0.54 189.0333862 0.27 191.0161133 1.55 193.0619049 100.00 201.9498596 0.60 203.0708008 0.62 207.0735016 1.11 217.0448914 61.03 219.0459595 0.04 221.0290222 0.06 229.0410767 0.12 229.9579163 0.04 233.1971130 0.32 235.1693726 10.43 240.6328430 0.05 245.3103943 0.05 247.1212769 3.33 257.2250671 0.07 259.1143799 1.10 265.1413879 5.86 275.0606079 0.35 276.9760132 0.39 289.3661804 0.10 295.2340393 4.64 309.8791199 0.04 311.0203857 0.11 337.1264954 1.81 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 983.92 Annotation Unknow Peak:m/z Relative Intensity 291.0589905 0.13 485.4780884 0.96 495.2613220 0.05 497.4375610 0.11 531.3570557 0.05 541.4281006 0.03 581.5404053 0.10 583.4957275 0.03 595.7174072 0.35 599.5650635 1.52 601.4448242 0.04 611.6303711 0.16 617.0097046 0.03 639.5682373 0.48 641.2998657 0.13 643.6256714 0.12 657.5629883 4.05 661.5452271 1.75 671.5394287 0.04 719.4788818 0.14 739.6653442 0.04 759.2735596 0.03 761.2269287 0.08 762.3786011 0.15 773.5739746 0.02 777.5366211 1.89 801.4962158 0.08 805.5728760 0.95 807.5166016 0.23 815.5738525 0.04 819.5076904 17.27 820.1082764 0.43 821.4290771 0.41 823.5395508 66.13 835.3454590 0.39 836.0725098 0.20 851.4691162 0.40 862.9331055 0.16 863.5560303 10.05 877.6287842 0.09 879.4051514 1.55 880.0926514 0.02 881.5183105 34.89 893.5495605 0.20 895.5322266 0.03 907.5351562 0.05 911.4830322 0.54 921.3215332 1.18 923.2526855 0.67 923.8601074 0.20 924.4631348 2.39 925.3001709 0.11 939.5125732 100.00 955.3125000 0.05 965.3360596 0.46 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 888.61 Annotation Unknow Peak:m/z Relative Intensity 251.2774658 0.06 264.1148376 0.07 296.0005493 0.11 337.0384521 0.18 355.2660522 0.17 379.2682495 0.21 392.2225952 0.06 435.7900391 0.20 464.4069824 0.24 485.3974609 0.06 492.3598022 0.14 495.5240479 0.08 498.4098511 0.30 511.4730225 0.11 516.9509888 0.19 523.3807983 0.12 541.9799194 0.40 543.4561157 0.14 545.1144409 0.03 551.2012329 0.14 576.6111450 0.13 591.4551392 0.15 608.5842896 0.14 610.2785034 0.14 625.3871460 0.16 636.3308716 0.44 687.2875977 0.03 712.5508423 0.36 715.7900391 0.32 729.1226196 0.04 732.6655273 0.25 758.0136719 0.22 758.6593628 0.46 760.5018921 0.26 775.5445557 0.10 776.4958496 0.06 786.6880493 0.27 795.9321289 0.14 807.0845337 0.14 807.7509766 0.46 814.9685669 0.48 819.3463745 0.31 820.7501831 1.70 823.7218628 1.67 824.8187256 0.24 825.4247437 2.41 827.3781128 1.24 831.2850342 0.46 832.8319702 0.14 833.7453003 0.21 835.7256470 0.49 836.4296265 0.13 838.4200439 0.49 840.0283203 0.36 843.9946899 0.08 844.6552124 0.07 845.7449951 0.12 847.8345337 1.65 849.1845703 1.79 851.7082520 2.82 853.6455078 8.61 854.5131226 0.29 856.2237549 4.84 857.2211304 1.22 858.7677002 0.62 859.7230835 3.52 860.4100952 2.70 861.0209351 3.00 862.0764771 0.09 863.4751587 0.42 869.9553833 0.58 871.1503296 1.00 872.7127075 0.61 875.4718628 0.80 877.3707886 7.05 878.0484619 0.27 878.8230591 0.08 883.9777222 0.13 904.5961304 0.14 907.5158081 0.40 912.3853149 0.06 916.0459595 0.44 917.7502441 0.57 919.4879761 0.47 925.2020874 0.48 927.5043335 0.07 929.5446777 0.13 933.2158813 0.34 940.3003540 0.93 941.7066040 0.15 944.2046509 0.22 959.6698608 0.24 967.1453247 0.88 976.3349609 1.03 977.2280884 0.73 977.9479980 0.24 981.6801147 0.10 983.5619507 0.09 995.2421875 0.29 998.3076782 0.09 1004.9625850 0.71 1007.5286250 0.43 1008.6815800 1.70 1010.8696290 1.70 1020.7023930 0.90 1021.4663090 0.18 1024.2773440 0.10 1027.4188230 1.78 1029.3474120 0.04 1032.4929200 0.07 1036.5207520 0.26 1039.1884770 1.25 1042.4572750 0.58 1044.8820800 1.55 1045.4945070 0.05 1048.6662600 1.07 1049.8371580 0.48 1050.4527590 0.03 1051.7994380 1.59 1052.5039060 0.19 1053.7508540 0.97 1054.6165770 3.04 1055.9862060 0.19 1058.4815670 0.22 1060.5053710 3.92 1061.1853030 0.64 1061.8347170 0.46 1065.9390870 2.45 1066.6752930 0.86 1068.2808840 0.06 1070.1519780 0.70 1070.9272460 0.46 1074.1657710 0.67 1076.6447750 2.13 1078.7028810 0.28 1079.9870610 0.18 1081.4803470 0.40 1082.4987790 0.28 1083.6029050 0.40 1086.3013920 0.78 1087.1041260 0.43 1088.5207520 1.07 1090.9123540 0.93 1091.9960940 7.22 1092.7305910 0.75 1094.7219240 0.40 1098.0187990 14.47 1098.9044190 0.46 1100.1843260 0.92 1101.9239500 0.34 1103.3659670 12.53 1104.2646480 0.14 1105.5153810 0.45 1106.8583980 0.79 1108.0734860 10.21 1109.4134520 10.39 1110.6911620 0.23 1114.1293950 16.20 1115.2360840 0.09 1119.0728760 0.13 1123.0432130 0.37 1124.1939700 1.40 1125.8166500 0.54 1127.3431400 0.55 1128.6104740 0.95 1129.8852540 9.83 1130.7119140 0.18 1131.9659420 1.37 1132.8659670 0.19 1135.1546630 5.95 1136.0637210 26.12 1136.9880370 0.90 1137.8208010 3.51 1139.5661620 2.49 1141.1549070 81.50 1142.6689450 1.82 1143.5229490 0.19 1144.4433590 0.67 1145.8229980 22.34 1147.1309810 100.00 1148.5732420 0.83 1149.1884770 0.53 1151.7054440 27.26 1152.4091800 0.38 1154.0683590 0.19 1155.2717290 0.81 1160.8571780 0.28 1168.1528320 0.06 1175.1645510 0.37 1177.1740720 1.53 1183.5404050 0.26 1185.9959720 0.61 1191.3284910 0.72 1212.7718510 0.23 1216.5035400 0.28 1226.5812990 1.22 1232.2705080 0.24 1235.6507570 0.91 1236.5131840 1.07 1251.1169430 0.61 1265.2696530 0.16 1273.2226560 0.11 1274.4693600 0.41 1283.5289310 1.11 1285.0358890 1.12 1285.6583250 0.28 1286.8339840 0.08 1290.0041500 0.66 1291.4606930 0.32 1292.7041020 0.80 1313.1674800 0.51 1314.2060550 0.20 1326.3248290 0.18 1327.8173830 0.20 1332.6779790 0.70 1339.2933350 0.22 1342.2675780 0.52 1353.4687500 1.11 1369.5699460 0.14 1371.5015870 0.32 1386.7895510 0.32 1387.7135010 0.21 1393.8671880 0.36 1402.2156980 0.50 1426.1007080 0.16 1433.1287840 0.38 1436.0776370 0.10 1438.6394040 0.10 1458.6881100 1.06 1463.8686520 0.16 1464.7534180 0.27 1466.2641600 0.26 1483.0572510 0.32 1515.7476810 0.24 1522.1348880 0.43 1531.2637940 0.37 1537.2930910 0.45 1563.0223390 0.44 1581.5816650 0.07 1614.5803220 0.22 1627.5329590 0.11 1631.4753420 0.06 1633.1350100 0.09 1640.1368410 0.49 1656.7922360 0.10 1661.7169190 0.51 1667.3723140 0.23 1696.6273190 0.24 1763.9881590 0.05 1770.9940190 0.04 1774.5252690 0.05 1797.5700680 0.05 1815.6151120 0.07 1835.5456540 0.10 1840.8557130 0.12 1854.5549320 0.25 1891.3919680 0.36 1895.9847410 0.31 1959.8980710 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 147.08 Annotation 3-Ureidoisobutyrate Peak:m/z Relative Intensity 84.3605499 0.04 88.0498047 0.02 100.9851990 2.28 129.9343719 100.00 130.9738617 0.02 147.5947418 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 679.8 Annotation Unknow Peak:m/z Relative Intensity 193.6394958 0.02 204.0910645 0.28 218.1506348 0.03 228.9974823 0.07 236.4188538 0.02 245.3693085 0.08 246.2346649 0.37 262.2012634 0.06 271.3677979 0.05 273.2355042 0.10 276.3245544 0.15 287.2351379 0.33 288.3255615 0.03 297.0884094 0.07 299.2406616 0.68 305.1057739 0.21 311.3206482 0.07 312.9722290 0.03 313.7051392 0.07 315.2318726 0.96 323.0994263 0.36 325.1218262 0.58 326.3552246 0.04 327.3163452 0.14 337.2041016 0.66 339.1162720 0.11 341.2299805 0.23 342.4205322 0.08 343.1120605 0.09 357.1836548 0.55 359.1693115 0.26 365.3110962 0.14 369.1495361 0.29 371.2344971 0.77 373.1412354 0.69 380.1071167 0.03 383.3205566 0.86 384.0371704 0.05 389.1669922 0.17 397.0872803 0.02 401.2755737 3.00 402.2985229 0.40 415.0562134 0.46 433.1048584 1.43 434.1701660 0.15 438.0529175 0.07 446.1644897 0.17 450.2143555 0.52 454.4451294 0.05 458.1537476 0.02 462.3916626 0.02 464.3136597 9.83 465.4775391 0.55 466.4397583 0.18 472.5279541 0.04 476.1691284 0.41 476.9714355 0.05 478.4501953 0.13 482.2145386 0.41 482.8915405 0.02 483.8002930 0.03 490.1755981 7.64 491.1624756 0.37 492.3870850 0.13 494.1201172 0.36 504.5371094 0.02 508.0935669 10.19 509.2899780 0.32 510.3571167 0.29 514.3189697 1.33 515.2898560 0.04 522.2224731 28.86 523.3581543 0.58 524.2384033 0.06 526.2661133 0.72 538.3003540 0.05 540.2539062 0.20 542.0091553 0.05 545.8106689 0.08 554.3064575 0.02 573.2708130 0.03 579.3363037 0.03 583.5223389 0.40 585.2710571 0.41 587.4168091 0.87 588.4742432 0.09 593.1710815 0.13 601.2151489 0.21 603.2377930 3.91 604.3406372 0.13 611.3653564 4.47 612.2274780 0.19 619.3389282 2.08 620.4142456 0.19 625.5270386 0.21 629.2360229 10.92 630.3384399 0.34 643.2252197 8.32 644.2139282 0.39 647.3164673 100.00 648.2938843 2.71 651.4036255 0.02 661.1773682 3.77 662.1950073 0.35 663.3223267 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 336.8158 Annotation Unknow Peak:m/z Relative Intensity 108.9713287 0.19 110.1041107 0.19 118.0131226 2.67 119.2598801 0.22 136.9219208 0.09 146.5292206 0.39 152.6492920 0.48 154.1240845 0.46 155.1204529 0.51 162.1227722 0.22 184.1875305 0.80 195.1288757 0.17 212.1474915 0.28 214.1140442 0.52 215.2948914 0.11 216.9911499 0.03 222.8229980 0.55 227.1659546 1.51 227.8746643 0.47 228.6266174 0.21 236.5244141 0.29 246.0409546 0.39 260.7135315 0.04 265.1892395 0.22 267.6954346 0.42 275.8554077 0.93 279.1391907 0.31 282.9750977 0.41 285.4953613 0.45 286.8154907 0.40 288.6793823 3.65 290.2546692 0.24 291.3528748 0.15 292.1472778 0.33 294.6541443 3.19 298.0167847 9.35 300.1140747 1.44 301.1532593 0.21 301.9330139 0.14 302.7371216 0.06 304.0307922 12.37 306.4124451 3.90 309.9803772 10.61 311.1761169 0.49 312.5484619 2.56 313.3013916 1.37 315.6097717 16.22 316.3576965 0.39 317.8569946 0.60 318.4674072 0.52 319.1926880 0.29 321.6959534 88.64 322.3501587 1.70 323.0820618 0.73 324.6282043 2.05 325.3432312 0.79 327.4275513 1.63 328.1600952 0.69 331.0879517 2.43 334.1236572 0.18 341.7340393 0.29 342.4046021 0.25 344.6856384 0.04 348.3465881 0.39 350.1293945 1.44 351.1303406 0.34 358.4327087 0.49 359.0588684 0.18 365.4481506 0.48 370.3394165 0.05 372.8193054 0.95 373.4522400 0.48 376.2844543 0.19 378.7481995 0.22 382.8153687 0.96 384.2292175 0.43 388.7401733 0.09 396.7932739 3.46 397.5274048 1.53 400.2671204 1.25 401.7900696 1.12 409.6966248 0.11 411.0485229 4.26 415.2539368 0.50 416.0692444 0.15 417.3617249 0.18 418.4039001 2.69 419.8487854 0.91 420.4856567 0.86 423.4351196 3.52 424.3387146 1.48 425.2012024 0.66 427.7028198 0.19 429.2362366 0.75 432.4547424 29.92 433.4623718 0.50 434.3938293 0.03 436.3177795 1.37 437.5414734 7.81 440.5644836 0.05 441.3345337 1.19 441.9818420 0.46 446.3171997 32.92 446.9273376 12.63 448.0646057 0.12 451.2658081 1.46 451.9013062 1.07 454.1443176 0.22 455.4080200 100.00 456.3603821 3.76 457.4470520 0.19 460.5193787 9.08 461.4008484 0.29 462.0715027 0.26 469.4760132 78.88 470.5505676 2.54 474.3910522 0.35 475.2078552 1.59 476.3788147 0.18 483.5108948 2.46 484.2420959 0.52 496.3879700 0.68 497.0988159 0.12 501.4536438 0.07 510.2623901 0.14 519.4046021 0.06 527.2047119 0.09 546.5089111 0.24 547.6807251 0.08 563.4432983 0.52 585.3405151 0.19 590.9887695 0.08 636.3060303 0.24 636.9541626 0.23 655.4025269 0.19 728.8415527 0.10 744.3065796 0.67 774.5480347 0.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 459.151 Annotation Methyl salicylate O-[rhamnosyl-(1->6)-glucoside] Peak:m/z Relative Intensity 132.0533142 0.99 133.0083771 0.20 134.0243530 5.67 135.1359253 0.11 145.0090942 0.08 147.8876648 0.06 149.0600586 2.52 156.9776001 0.48 158.2821808 0.19 160.0037537 11.49 161.0585022 1.19 163.2943115 0.06 173.0993500 0.59 175.0593872 42.12 177.9943542 1.10 179.1176300 0.09 186.9849243 0.36 188.2086792 0.17 189.1703796 0.10 191.1398010 3.20 193.0733643 100.00 199.1360168 0.12 207.2028198 0.62 217.0079498 0.67 220.1456604 0.15 229.0843201 0.56 231.3953247 0.08 233.5096436 0.75 235.0358887 13.63 246.7745361 0.06 249.0565796 0.20 251.1999512 0.18 265.1450806 4.63 267.1380310 0.16 277.1889648 1.22 279.1392212 0.22 283.2537537 0.62 295.2004395 8.33 297.3089905 0.20 319.0969849 0.05 335.2384033 0.16 337.1381226 9.93 355.2485046 0.38 357.2621765 0.15 363.2228088 0.39 375.4709167 0.17 383.4044189 0.11 396.3048401 0.08 397.2257385 0.66 412.2910156 1.01 413.3314209 0.74 414.2934875 0.23 429.3766174 1.83 444.2980347 2.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 608.2407 Annotation Unknow Peak:m/z Relative Intensity 353.0880737 0.95 418.3361816 0.95 427.6207886 0.11 447.9338379 0.14 472.5314331 0.06 476.2023926 0.10 481.4583130 0.12 490.9514771 0.44 504.8832397 0.29 512.2460327 1.96 530.6506958 0.13 533.1991577 0.21 534.2693481 0.10 536.1893311 0.04 542.9669189 0.16 543.6011353 0.10 544.5437622 0.21 546.3244629 1.53 547.6587524 0.14 549.5364380 0.06 554.3049316 0.29 555.3153687 0.31 561.2516479 0.19 562.3084106 0.12 563.3399048 1.70 564.3903198 16.38 576.2358398 0.21 585.2020264 100.00 586.0979614 0.08 589.4757690 0.06 598.4218140 0.12 669.1032715 0.18 694.9516602 0.12 711.3559570 0.11 731.8142090 0.12 773.1865845 0.69 793.9218140 0.05 837.5883179 0.38 879.2933960 0.88 951.5198364 0.10 969.6454468 0.05 983.3398438 0.05 1025.4193120 1.11 1053.6562500 0.08 1069.2260740 0.03 1111.3499760 0.15 1127.4199220 0.08 1171.3713380 9.47 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 586.91 Annotation Unknow Peak:m/z Relative Intensity 199.1272278 0.22 245.0396729 0.07 273.1336365 1.67 275.0660706 0.08 282.1432495 0.06 359.1223755 0.08 387.1031494 0.22 388.2814941 0.10 427.0131836 3.85 428.0310059 0.37 429.0883179 0.51 430.1492310 0.32 470.8773804 0.16 471.6672363 0.28 473.0528564 1.95 482.1087036 0.84 518.6104126 0.13 527.0133667 0.05 540.8248291 100.00 541.9067993 0.63 542.9658813 0.49 545.8095093 0.16 555.1087036 0.36 569.0951538 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 387.114 Annotation Unknow Peak:m/z Relative Intensity 163.3581238 0.02 175.4521484 0.06 195.2316437 0.14 207.2994080 0.03 208.2924500 0.14 209.1225739 0.16 210.2964478 0.03 223.1255798 0.32 250.1726379 0.02 254.0320435 0.13 259.1589050 0.42 269.7229614 0.06 297.0846558 0.09 300.2269287 0.06 311.1815491 0.23 325.2862549 0.11 326.8712158 0.01 335.2456055 0.09 341.2168274 100.00 343.1822510 0.13 351.3359680 0.09 354.4153748 0.08 359.1944580 0.06 369.0271912 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 601.4243 Annotation Lawsonin Peak:m/z Relative Intensity 166.9665070 0.12 168.8064880 0.70 170.0792847 0.17 171.1321106 0.07 172.2837219 0.26 172.9916534 0.65 175.2053528 0.41 177.1075897 0.67 178.0769501 0.69 179.0514526 0.51 181.2009735 3.02 182.1632080 0.59 183.2522888 0.73 184.2400513 0.09 185.2404480 0.79 185.9011841 0.12 187.0603943 1.41 189.1380310 0.63 190.1355591 0.33 191.0249023 2.54 192.3003082 0.52 193.2351837 0.11 195.1114502 2.33 196.1803284 0.28 197.0649261 2.27 198.3355408 0.07 199.1512604 0.42 200.2689209 0.26 201.0814819 0.89 202.3306427 0.32 203.2279510 3.75 204.1620483 0.07 205.1858215 0.74 205.9363708 0.59 207.1735229 4.83 208.0088043 0.72 209.1162109 5.42 210.5676880 0.29 211.2951355 2.12 212.0716553 0.47 213.2072144 1.56 213.9640350 0.29 215.5138550 0.17 217.2269897 1.17 217.9547272 0.29 219.1107788 0.76 220.4609985 1.41 221.1875153 26.87 222.2582550 3.18 223.2325134 2.49 225.1469116 2.98 227.0779724 0.21 229.2515869 0.22 230.0602570 0.16 231.1038971 0.37 232.9772186 3.14 234.2613220 1.04 235.1968689 2.66 237.0744629 2.83 239.0162964 1.60 240.4410400 0.19 241.2449493 0.88 242.9836731 0.99 245.1210327 3.03 246.0931702 0.06 247.1801453 3.36 248.1900940 0.58 249.2176208 3.39 250.0578461 0.58 251.1639709 1.21 252.7536163 0.64 254.1990356 0.16 255.1554565 0.50 256.6817627 0.59 257.3116455 1.49 258.2047729 1.14 259.1037598 2.01 260.0017090 0.29 261.2831726 1.82 262.2533264 0.32 263.4057617 1.53 264.3623047 0.52 265.3381958 1.42 267.0454712 0.55 267.8488159 0.13 269.3423462 0.54 270.2393188 0.15 271.2364197 2.85 272.4870605 0.42 273.3332825 1.68 275.2943420 1.98 276.0389404 0.73 277.1970215 0.36 278.2590027 0.53 279.3049622 1.49 280.4081421 0.28 281.3104553 1.40 282.3833008 0.32 283.2252808 1.09 285.2672729 5.03 286.1621094 4.48 287.1577759 4.09 288.2966919 0.53 289.1700439 3.53 290.1457520 0.46 290.8314209 0.64 291.5033569 0.93 292.4830322 0.49 293.4486694 0.93 294.2196045 0.58 295.2707825 2.02 297.3335571 1.23 299.1686401 3.62 300.3284302 1.75 301.3317871 5.82 302.4065552 0.45 303.4335327 0.82 305.1891479 2.58 307.2680054 0.49 309.3129272 0.77 310.3382568 0.29 311.2548218 2.61 312.4935303 0.49 313.2242432 1.95 314.0961304 0.21 315.2138672 1.25 317.1919556 2.44 318.0502319 0.10 319.4406128 2.43 320.2404785 0.09 321.3234863 0.65 322.1243591 0.06 323.2477417 0.90 324.3688354 0.76 325.2994995 0.68 326.3344116 2.34 327.3540649 1.19 328.2427979 0.18 329.2595825 1.67 330.2965088 0.95 331.2911987 0.68 332.4462280 0.22 333.3391113 1.37 334.3490601 0.11 335.3610840 0.46 336.3248291 0.67 337.2314453 1.07 338.0621948 0.23 339.4158936 0.04 341.0991821 0.44 341.8869629 0.06 343.4752197 1.71 345.2394409 1.81 347.3137817 1.72 348.3580322 0.25 349.3997192 1.27 351.3013306 0.86 352.4196777 0.08 353.3280640 0.61 354.1333618 0.41 355.4099731 1.40 356.9908447 2.95 357.6856079 1.46 359.4001465 2.51 361.1175537 2.07 362.5042114 0.47 363.5835571 0.64 364.4645996 0.75 365.4725952 2.19 366.5064087 0.34 367.4246826 5.46 368.3314819 0.23 369.0138550 0.13 369.6613159 0.38 371.4017944 1.50 372.3750000 0.21 373.4934692 1.48 374.4387207 0.32 375.3460083 4.64 377.1033325 5.59 378.2286377 1.89 379.2755127 1.91 380.4398804 0.12 381.4998779 0.94 382.3296509 0.23 385.4475098 1.87 386.3778076 0.53 387.3785400 2.11 388.4638672 0.48 389.3626709 1.06 390.6298218 0.93 391.4354248 3.85 393.2703857 14.51 394.1127319 0.67 395.2908936 0.92 397.3583984 0.58 398.3200684 0.11 399.5513306 1.37 400.4763184 0.11 401.3186035 0.67 402.8948975 0.54 403.5528564 2.27 404.4896851 0.26 405.4974365 0.51 407.3876343 0.91 408.6942749 0.18 409.4236450 1.19 410.5776978 0.29 411.2761230 0.42 413.2304688 1.97 413.9018555 0.24 414.5437622 0.34 415.2551270 0.82 416.5747681 0.56 417.4893799 3.41 418.4234009 1.01 419.3404541 1.03 420.7235718 1.04 421.3500366 4.56 423.4560547 0.54 425.3062134 6.50 426.6998901 1.70 427.5601807 1.97 428.4280396 0.46 429.2980347 1.49 430.3309937 1.20 431.4132690 0.34 432.4465942 0.89 433.5292358 0.66 434.3859863 0.24 435.4395142 5.09 436.2646484 0.05 437.4451904 0.46 438.2135620 0.69 439.3915405 0.29 441.4331665 0.70 442.2106323 1.09 443.4070435 1.26 444.4811401 0.71 445.3514404 2.61 446.4744263 0.58 447.2940063 0.68 448.3916626 0.44 449.3980713 0.31 451.4152832 1.11 452.4293823 0.06 453.2275391 1.41 454.1590576 0.32 455.4165039 1.83 456.4020386 0.35 457.3604736 0.28 458.4852905 0.80 459.4865112 0.25 460.2978516 0.66 461.7083130 0.24 463.1791382 0.54 464.3007812 1.79 465.5781250 0.12 467.5360718 0.75 468.5055542 0.14 469.7559204 0.65 470.4351807 0.25 471.4791260 1.48 472.4687500 0.23 473.4218750 1.18 474.1804199 0.06 475.4277344 0.59 476.9041138 0.47 477.6297607 0.32 478.3945312 0.29 480.4290161 0.13 481.5437622 0.69 483.3200073 0.58 485.4535522 0.37 489.4545898 0.48 490.3132324 1.19 491.4708862 28.92 492.2353516 0.54 493.2945557 0.42 494.4415283 1.49 495.3297729 0.65 496.6314087 0.08 497.5438232 0.19 498.6411133 0.17 499.3805542 0.85 500.5617065 0.45 501.5607910 0.39 502.4624634 0.35 503.2156982 0.90 503.9580688 0.25 505.4062500 0.38 506.4324951 0.41 507.3922729 1.42 508.4517822 8.21 509.4337769 48.88 510.0946045 0.30 512.9390259 0.08 513.6485596 0.30 516.3137817 0.24 517.5571899 0.46 518.5814819 0.28 521.4770508 2.14 522.5613403 0.10 523.6771240 0.42 524.4542236 0.17 525.5228271 0.41 526.3367310 0.66 527.3707886 3.02 528.4349976 0.15 529.3577271 0.19 531.3230591 0.55 536.5491943 0.40 537.3724365 0.17 539.4774780 0.55 540.5133667 0.23 541.3457642 1.30 542.5845337 0.50 543.7808838 0.13 544.5695190 0.78 545.5154419 1.44 546.6921997 0.67 547.5551758 2.30 549.2559204 0.46 549.9057617 0.10 552.3842773 0.25 554.5734253 0.07 555.2380981 0.09 558.3118286 1.22 560.0495605 0.29 564.1007690 0.90 565.4525757 19.56 566.1133423 0.59 568.6319580 0.22 569.3552246 0.28 570.2264404 0.10 571.0452881 0.20 572.5857544 0.88 573.7975464 0.38 580.3842163 0.18 582.9382935 36.90 583.5475464 100.00 584.4382935 0.30 585.6087036 0.12 600.5704956 0.38 602.9555054 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 296.88 Annotation Unknow Peak:m/z Relative Intensity 128.8426514 100.00 136.8405457 0.10 171.2100525 0.25 197.0128174 0.34 211.2257080 0.28 212.7287292 40.65 213.4343567 0.16 228.9204407 0.21 253.4375000 0.46 269.1991577 0.12 279.2894897 0.45 282.2445374 0.49 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1264.07 Annotation Unknow Peak:m/z Relative Intensity 439.5718079 0.45 454.5989685 0.19 483.2948914 1.92 501.5399475 3.04 775.5607910 0.24 793.7506714 0.05 809.5164795 2.88 851.5260010 0.22 955.5102539 100.00 956.2553711 8.01 957.0196533 0.11 997.5024414 0.23 1133.8421630 0.22 1159.2064210 0.87 1201.9038090 0.18 1202.5964360 0.71 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 476.2778 Annotation PE(18:2(9Z,12Z)/0:0) Peak:m/z Relative Intensity 151.1919556 0.01 152.8695374 0.06 195.1560669 0.01 196.1290741 0.10 214.1012726 1.62 233.2225342 0.02 261.3130188 0.17 279.2745972 100.00 279.8993225 0.13 280.5383606 0.01 330.4139709 0.01 337.9696045 0.03 349.5332336 0.06 354.3134460 0.05 375.2722168 0.03 388.4730225 0.05 389.1552429 0.03 396.3267212 0.02 398.1882324 0.05 401.6308899 0.01 403.0019836 0.02 404.3337402 0.02 408.2737732 0.04 414.4954529 0.01 420.9924011 0.03 429.2680664 0.03 430.2826233 0.01 431.9072571 0.03 439.4132080 0.02 440.3028870 0.10 443.2385254 0.02 457.9659119 0.19 475.4283142 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 789.2061 Annotation Myricetin 3-rutinoside-7-glucoside Peak:m/z Relative Intensity 221.1418610 0.00 223.1265259 0.00 227.3018799 0.01 229.2499084 0.01 231.3927917 0.00 233.2822266 0.00 234.2614594 0.01 235.2324829 0.00 241.1822052 0.04 241.8195648 0.00 243.2067871 0.03 244.1770935 0.29 245.1735077 0.17 246.3625946 0.01 247.1627960 0.01 248.1434631 0.01 252.8380737 0.00 254.3761597 0.01 255.1737976 0.01 259.0750427 0.26 260.0304565 0.01 261.2801819 0.14 262.2683716 0.02 269.4686890 0.00 270.3014526 0.01 271.1650391 0.02 272.1760254 0.17 273.2137146 0.30 274.2033997 0.04 277.1643982 0.07 278.3916016 0.01 279.4678955 0.01 287.2802124 0.12 288.2100525 0.05 289.2915344 0.17 290.2199707 0.26 291.3618469 0.03 295.1247559 0.18 296.1506348 0.02 298.9906006 0.03 300.0061035 0.01 301.2838745 0.31 302.3104248 0.04 304.1186829 0.01 305.2391357 0.00 307.3211365 0.00 309.3656311 0.00 314.2282715 0.02 315.3481445 0.05 317.3357239 2.34 318.2524414 12.80 319.2840271 1.59 323.6404419 0.00 325.1696777 0.08 326.2649536 0.01 330.5533447 0.02 331.2868958 0.02 333.2156372 100.00 334.1453247 12.76 335.1379395 0.00 336.0870972 0.00 339.1385193 0.00 342.4688110 0.00 343.3380737 0.01 345.2024536 0.14 346.2305908 0.03 352.7166138 0.01 353.3315735 0.00 357.3209534 0.02 358.0416260 0.00 371.3018799 0.00 372.9929199 0.05 375.2032471 2.07 376.2821655 0.35 381.9415894 0.00 382.9376221 0.00 385.4147949 0.00 391.3147583 0.00 397.4774780 0.00 399.3403320 0.10 400.1862183 0.01 402.9466553 0.02 411.0932007 0.01 412.4108887 0.01 414.2114868 0.00 417.5321655 0.02 418.4528809 0.01 421.0911865 0.06 422.4326172 0.00 429.3129883 0.03 430.5233154 0.01 432.6956787 0.01 436.3298340 0.00 436.9472656 0.00 439.2921753 0.00 441.2849121 0.10 442.2167969 0.02 443.3823853 0.00 447.1791382 0.05 448.4414062 0.01 449.2416992 0.00 457.1223145 0.05 459.2803345 0.09 460.1033325 0.01 461.2737427 0.00 465.2249756 3.61 466.2617798 0.60 477.2122803 1.28 478.3043823 0.30 479.2366943 0.05 480.5042114 0.01 481.6486206 0.00 489.3601074 0.01 490.2447510 0.00 495.0636597 8.02 496.1054077 1.58 496.7355347 0.00 499.3707275 0.00 500.1216431 0.00 507.2441406 0.37 508.2690430 0.05 515.2294922 0.00 519.4469604 0.02 526.1525269 0.00 529.4119873 0.00 537.1450806 0.24 538.1076050 0.03 538.7135620 0.01 547.5441895 0.00 558.1879272 0.00 570.6101074 0.00 575.2409668 0.00 592.5507812 0.01 603.6211548 0.01 609.2501831 0.12 610.2110596 0.02 613.1807251 0.00 619.6157227 0.00 621.3913574 0.02 622.5396118 0.00 623.6041870 0.01 627.0936890 4.36 628.1433716 0.91 628.8456421 0.01 631.3576050 0.00 639.2318726 0.20 640.1629639 0.03 645.4989624 0.02 654.3890381 0.00 656.9987793 18.09 658.0122681 3.99 658.6871338 0.01 663.2201538 0.00 664.9160767 0.01 681.8826294 0.00 697.7421875 0.00 699.0459595 0.05 700.0894165 0.01 703.2755737 0.02 714.0896606 0.00 724.8971558 0.02 728.3811035 0.01 729.0411987 0.00 731.1257324 0.03 731.8004761 0.00 732.9703369 0.00 734.9750977 0.00 739.7351685 0.02 745.2955322 0.01 753.1688843 0.03 754.1113281 0.01 754.8480225 0.01 758.3723145 0.00 763.8030396 0.02 768.3201294 0.03 769.0505981 0.00 771.0025635 0.05 772.0399780 0.06 774.4700317 0.01 777.9009399 0.00 780.0836792 0.00 781.0869751 0.01 789.4596558 0.01 790.5421753 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 963.2595 Annotation Isorhamnetin 3-gentiotrioside-7-glucoside Peak:m/z Relative Intensity 269.9517212 0.57 270.9648743 0.76 272.1792603 0.22 273.0180054 0.72 278.8716431 0.32 281.3630981 0.34 282.6980896 0.26 285.2068481 0.66 286.0054932 3.32 287.0989990 12.77 288.2248840 1.70 293.9617615 0.73 296.3075867 0.28 299.2640686 1.57 300.1391907 0.79 301.0902710 6.55 302.0937805 11.39 303.2223816 2.12 307.2366028 0.45 309.1443787 0.47 311.0506287 2.28 311.9789124 1.43 313.1729736 0.89 314.0484619 0.85 315.1130981 5.11 316.0803528 2.13 317.1806641 6.31 317.9036560 0.33 318.5219116 0.12 321.9985352 0.68 323.1434937 0.31 324.1363220 0.19 325.2572632 0.54 326.2205505 2.00 327.0278625 0.62 329.0807800 19.99 330.1302795 29.51 331.2416687 8.59 332.1265259 0.11 333.5827026 0.58 335.1973267 0.09 337.1864319 0.36 338.0888977 0.51 339.2871704 1.18 340.4733887 0.12 341.2487793 3.24 342.0972290 0.45 343.1364136 4.96 344.0808716 22.09 345.1324463 100.00 346.2313232 12.66 351.1427917 0.61 352.1219788 0.56 353.2357788 3.48 354.2032471 1.76 355.2011414 2.59 356.2818604 0.69 357.1769714 1.74 357.9704285 0.08 359.0186462 1.03 361.4943848 0.20 365.2087402 0.67 366.4664001 0.60 368.1315918 0.15 369.1792908 4.84 370.2836304 2.52 371.4851685 1.14 372.1070557 5.97 373.2746582 1.81 374.4488525 0.47 377.2377319 0.19 378.2678528 0.15 380.7141113 0.34 381.8146973 1.06 383.2518921 0.84 384.1669922 1.35 385.1987305 0.63 387.1826172 44.12 388.2479248 7.15 393.1630859 0.17 394.2083435 0.07 395.3590088 0.54 397.1850891 1.34 398.4695435 0.58 399.2174072 3.50 400.0947266 0.66 401.3154907 0.38 402.1833496 0.94 403.5430908 0.13 410.7502441 0.79 411.3664246 0.59 413.1202393 0.33 414.0139160 0.92 415.0404663 0.65 417.2185059 4.72 418.2594604 0.72 419.0883789 0.08 420.1817627 0.54 422.8789673 0.23 424.2796631 0.12 425.2554932 0.49 427.3554688 0.25 428.4163208 0.24 429.2863770 1.76 430.0620728 1.14 431.2223511 0.38 435.2135010 0.59 437.0694580 1.20 438.3212891 0.86 439.2524414 1.95 440.2523804 0.55 442.3385620 0.16 446.5918579 0.11 447.3230591 1.12 449.2874146 0.38 450.0803223 0.28 453.2792358 5.17 454.2581177 1.17 455.2577515 1.57 456.2078857 0.22 456.9212036 0.59 458.1849365 0.14 459.5479126 0.20 461.4704590 0.28 463.6281128 0.63 467.2762451 0.19 471.2376709 1.01 473.3457031 0.25 474.3429565 0.46 475.2448730 1.19 476.1962891 0.27 477.3276978 0.13 480.4563599 0.17 483.3771362 0.57 489.3101196 1.21 490.4246216 0.20 491.3097534 0.31 492.0682983 0.69 493.1878662 1.76 499.2854004 0.32 501.3993530 1.56 504.9789429 0.28 506.1296387 0.58 507.2522583 7.66 508.3845825 2.14 511.1416016 0.30 513.2804565 0.45 518.9912109 0.27 520.1049194 0.65 526.4271851 0.33 527.5391235 0.44 531.0678101 1.80 532.5368652 0.71 540.9212646 0.29 543.4188232 0.69 546.5397339 0.79 547.7073975 0.14 549.1162720 0.97 567.4576416 0.12 577.5076294 0.21 579.3628540 0.61 583.7078247 0.52 590.4728394 0.10 594.5184326 0.23 603.5546875 0.54 607.7208252 1.20 608.4251099 0.13 609.4086304 0.11 615.1206665 0.87 616.5398560 1.29 617.4287720 1.38 618.3048706 0.80 619.4700317 0.48 620.3147583 0.55 621.4628296 0.93 622.1824341 2.22 623.1559448 1.63 624.1631470 1.33 625.4609375 0.49 626.3211670 1.39 631.3752441 0.32 632.4526978 0.13 633.2384644 0.49 634.2947388 0.46 636.1659546 4.34 637.2501831 4.82 638.4543457 0.41 639.2569580 1.64 640.6672363 0.07 642.4237671 0.41 645.4608765 0.61 649.5046997 0.72 651.2797852 51.69 652.2877197 14.51 653.4047852 7.74 654.4451294 1.33 655.3813477 3.15 656.2799683 1.00 660.5202026 0.20 663.1032715 0.17 664.6282959 0.44 665.2933960 0.45 666.9867554 0.78 668.0380249 0.16 669.1982422 37.22 670.2940674 15.85 670.9475098 0.30 677.1896973 0.22 679.9320679 0.75 681.2546387 19.28 682.3632202 5.02 683.4290161 0.40 684.6417236 0.10 694.2301025 0.07 696.2607422 0.43 710.9049072 0.22 724.1983032 0.31 726.7393188 0.28 732.5968628 0.23 739.1278687 0.20 740.4413452 0.25 751.6864014 0.11 753.2467041 0.26 754.8862305 0.64 756.3384399 0.14 757.3444824 0.27 763.0796509 0.75 765.6373901 0.56 766.6687622 0.19 767.2963257 0.39 768.8561401 1.50 769.7119751 1.05 770.5755005 3.87 771.4097900 2.36 772.2298584 1.19 774.5452881 0.26 777.0161743 0.30 781.0962524 0.20 783.2927856 49.78 784.3493652 13.90 785.9744873 0.75 787.2608032 38.68 788.3720093 16.19 790.3794556 1.64 791.4520874 0.12 793.3106079 0.06 795.3307495 0.10 796.4483032 0.10 799.3009644 0.26 801.2821045 46.32 802.2783203 15.59 808.4583130 0.87 813.4637451 0.64 814.3187256 1.97 815.1662598 0.51 816.1273804 0.12 817.0588989 0.75 818.4325562 0.75 822.6574097 0.11 831.0888062 0.06 832.1152954 1.58 839.4031372 0.65 840.5880737 0.17 842.4298096 0.21 843.4209595 0.71 844.2072754 0.59 850.1661987 0.10 858.2507935 0.32 877.3615723 0.25 885.5208130 0.09 891.5958862 0.85 892.5706177 0.23 896.3521729 0.99 897.3273926 0.41 898.4682007 0.46 899.5586548 0.06 901.2239380 1.07 903.3441772 2.89 904.4258423 2.86 905.4577026 0.89 913.2898560 0.17 914.8389893 0.10 916.4843140 0.38 917.1517334 0.87 918.9398193 1.42 919.5535278 0.89 920.2675171 1.32 929.1694336 0.08 931.3371582 25.82 932.4219360 16.86 933.4079590 1.07 934.4978638 0.45 935.1809692 0.59 936.4595337 0.65 945.5432129 3.95 946.4479980 0.99 948.2600098 54.79 949.2968140 26.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 971.4854 Annotation Acankoreoside E Peak:m/z Relative Intensity 280.4052734 0.67 304.8229370 0.16 318.3241882 0.28 336.7056885 0.12 343.3112793 0.39 363.0400391 0.10 393.5422058 0.84 397.1102295 0.35 423.4361572 0.52 425.4916687 0.28 438.9633179 0.47 463.4017944 0.40 471.4303589 100.00 481.1885376 11.10 499.3048706 63.11 555.2730103 0.23 582.6256714 0.27 583.6110840 0.16 587.6395874 1.40 603.5659790 0.33 627.4562378 0.49 628.7955322 0.15 629.7229004 0.34 633.1223755 0.91 645.4906006 0.60 648.5802612 0.86 649.6379395 0.30 663.3536377 0.53 664.7585449 0.63 763.7675171 0.60 765.5996094 1.08 789.4132690 0.21 793.2805786 1.09 807.4186401 7.97 808.4624023 1.21 809.5614624 1.86 811.4128418 34.58 823.6723022 1.15 839.3424683 2.26 840.4757080 10.77 841.4762573 5.18 850.1918335 0.82 851.5179443 4.61 868.2711792 0.73 869.4469604 9.06 909.2554321 0.24 912.4268799 0.85 926.5512695 3.93 927.5142822 43.60 938.6791382 0.25 943.7352905 0.40 952.2704468 1.04 953.4553833 1.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 767.38 Annotation Unknow Peak:m/z Relative Intensity 218.3778229 0.12 227.4269104 0.25 235.0627747 0.46 246.2918549 0.08 251.2912903 0.17 256.1292114 0.08 260.2441406 0.23 262.2306519 0.19 263.0624084 0.16 270.3123779 0.19 280.2741699 0.13 286.7594604 0.37 288.2263794 0.31 289.3044434 0.10 293.2102051 0.33 305.0406799 0.13 305.7858887 0.34 309.4018860 0.72 310.3133545 0.26 315.2460938 0.50 316.2890320 0.84 317.2501221 0.34 323.3419189 0.26 325.3608093 0.07 331.1989441 0.12 337.1239014 0.42 338.2145386 0.36 339.3408203 0.54 340.3836670 0.15 341.4281616 0.08 343.3887939 0.05 344.3372803 0.49 355.1767578 0.05 356.9768066 0.82 358.4642944 0.03 359.1954346 0.19 360.2197876 0.08 361.3898621 0.11 366.2894897 0.39 369.2366333 0.15 371.1334229 0.35 372.3159180 0.80 373.1727905 0.75 383.1188354 0.22 385.0863037 0.67 386.3543091 0.21 388.4723511 0.36 393.5068970 0.18 395.4085083 0.16 399.4079590 0.08 401.3819580 1.66 402.2888794 1.89 403.2169189 0.59 411.2298584 0.51 412.4219971 0.40 413.2145996 0.40 414.3710938 0.08 415.3328247 0.08 417.2984009 0.06 419.3649292 0.55 427.5070801 0.21 429.3007202 0.21 433.3049316 0.08 434.3309326 0.94 435.4949341 0.46 441.3088989 0.05 444.1575317 0.26 444.9956055 0.23 445.7247925 0.51 446.6134033 0.47 447.2737427 0.70 448.5166016 0.06 459.3425903 0.05 460.1773682 1.31 460.9592285 0.27 465.1421509 0.39 475.8936157 0.10 477.5578003 0.09 483.1682739 0.24 484.4164429 0.37 490.4475098 0.10 491.3638306 0.18 492.4968872 0.13 493.2827148 0.25 495.1320801 0.16 500.7548828 0.16 505.3262939 0.36 506.4012451 0.29 507.3378906 0.56 508.1863403 0.32 509.2410278 0.11 510.2728271 0.34 511.4338379 0.06 514.1476440 0.31 515.0507812 0.17 516.3777466 0.28 517.4766846 0.51 519.6079712 0.07 522.4807129 0.33 523.4105835 0.78 526.7653198 0.52 527.5609741 0.56 528.2813721 0.64 532.4012451 0.57 533.2781372 0.36 534.5363159 0.32 536.3870850 0.04 537.4981689 0.22 539.1133423 0.10 542.4664917 0.52 550.2195435 3.15 551.3463745 11.49 552.4203491 5.44 555.1413574 0.35 558.3424683 0.14 559.0515747 0.13 560.4662476 0.30 564.1630249 0.27 565.3396606 2.11 566.4350586 0.84 576.2335205 4.42 577.2598267 16.09 578.2750854 13.32 579.1112671 0.13 580.3737183 0.52 581.3054810 0.35 582.3451538 0.43 586.4727783 0.59 587.1176758 0.24 589.5414429 0.16 591.1643066 0.15 592.3817139 0.12 594.5134277 2.07 595.1582642 5.56 596.1312256 4.74 597.3061523 0.99 599.4254761 0.24 604.5463257 0.72 605.4389038 0.47 608.2247314 20.09 609.2338867 73.40 610.3556519 100.00 611.4103394 1.70 612.3761597 0.95 613.5333252 0.21 615.9946899 0.16 617.7068481 0.25 618.5935669 0.07 620.1790161 0.09 621.2500610 0.28 627.2926636 0.54 628.1552124 0.54 630.3983154 0.62 631.5047607 1.14 636.3574829 0.07 642.4978638 0.13 643.9244995 0.74 645.2877808 1.53 646.9464722 0.40 648.3718872 0.94 649.3806763 0.76 654.4911499 0.09 655.3073120 0.48 661.1055298 0.65 662.1869507 0.16 667.5474243 0.25 668.5336304 0.38 672.3741455 0.42 673.3873901 0.74 674.4389648 1.82 675.3634033 3.45 680.2262573 2.53 681.2761230 4.13 686.2027588 0.43 687.3543091 0.41 689.5480957 1.13 690.4436035 2.76 691.3880005 4.73 697.1069946 0.52 698.3343506 3.58 699.2716675 5.42 702.3407593 0.63 703.4454956 0.35 705.2321167 2.71 706.3846436 8.50 707.3627319 7.82 713.6001587 0.13 716.1125488 7.85 717.3171997 13.08 718.2213745 0.77 722.0199585 2.01 722.7521362 0.44 723.4105835 1.81 729.3279419 3.52 730.2617188 20.33 731.3883667 59.05 733.6305542 3.89 734.3316040 57.99 735.2966309 73.23 735.9729004 0.42 747.0192261 0.25 748.2168579 11.16 749.3006592 22.39 750.3963013 1.51 751.0379639 0.16 767.3765259 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 679.2448 Annotation Unknow Peak:m/z Relative Intensity 205.0967102 0.97 206.2062988 0.13 207.2358246 0.04 222.8418274 0.05 229.1833496 0.11 229.9714661 0.09 231.1926117 0.30 232.2102356 0.14 241.3834839 0.01 249.1919098 5.87 250.2014923 0.81 259.4651794 0.01 267.0715027 51.82 268.2239380 4.80 278.8953857 0.08 289.0459595 0.15 319.1205444 0.02 323.2042236 1.76 324.2022705 0.19 335.2061157 0.12 345.2321777 0.03 349.5698242 0.03 367.3822632 0.04 385.2542725 0.11 393.3331909 0.08 399.9803467 0.33 405.0969849 0.08 407.7095947 0.01 411.1507568 0.05 412.0720215 0.11 429.3762817 0.27 430.2376709 0.11 437.2265015 1.17 438.1963501 0.49 440.6452637 0.03 455.2600708 25.99 456.3857422 5.74 457.4851074 0.03 463.2434082 0.16 464.6745605 0.03 470.8493042 0.02 474.4256592 0.03 481.2167358 3.53 482.1991577 1.04 499.2693481 100.00 500.3477783 18.44 501.5502319 0.02 503.1224365 0.55 504.4591675 0.08 517.2499390 6.11 518.2415161 1.27 521.1762695 0.22 541.7666626 0.07 559.3381958 0.48 560.0949097 0.03 571.2218628 0.06 575.5184937 0.03 589.3040771 0.16 599.3926392 0.03 601.3496704 0.02 604.6231689 0.06 617.3325806 0.19 619.2794800 0.38 620.1712036 0.10 635.3964233 0.23 644.7333984 0.02 661.3416748 4.70 662.4436646 1.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 507.1142 Annotation Eupatolitin 3-glucoside Peak:m/z Relative Intensity 163.8381042 0.03 167.1281891 0.01 174.9631195 0.02 180.1545715 0.05 203.3874512 0.02 205.1869812 0.03 209.1238556 0.10 216.7424469 0.01 220.5094757 0.01 241.0883331 0.05 245.1025696 0.02 249.2167358 0.03 251.2186279 0.02 256.9686890 0.03 258.2821960 0.03 269.2182617 0.02 275.1686096 0.03 277.2474365 0.02 279.3543701 0.03 283.1746826 0.02 285.6851807 0.02 289.4436340 0.02 293.3513794 0.02 301.2749634 0.02 303.0380249 0.06 311.2054138 0.02 312.5075684 0.02 313.3760376 0.02 315.2826538 0.14 325.2623291 0.03 326.2195435 0.04 327.4667053 0.13 329.2946777 0.25 330.1537170 2.52 331.3053589 0.04 340.1947021 0.03 341.1166382 0.09 345.1046753 100.00 346.7751465 0.12 355.3784180 0.02 356.9837646 0.07 358.1084290 0.16 359.2073364 0.08 361.5176086 0.01 363.5299072 0.03 369.3865356 0.15 372.1102600 0.11 373.7159424 0.05 377.4633789 0.01 385.7171631 0.01 387.2726746 3.07 389.3444824 0.06 390.2621155 0.05 391.2445679 0.03 401.2764893 0.05 407.4023132 0.03 414.2006226 0.01 415.2028809 0.01 416.9752502 0.01 417.7145996 0.01 425.9327087 0.04 428.9348450 0.01 429.6224060 0.04 431.2597351 0.19 433.2822876 0.02 445.3076782 0.03 447.2530212 0.02 453.2138367 0.05 461.3653259 0.07 465.4211121 0.02 466.8757629 0.08 471.3942261 0.04 474.1343079 0.05 475.2165833 0.03 476.3896790 0.08 477.4161987 0.15 487.3136902 0.02 488.6728210 0.01 489.3550110 0.39 492.1696472 9.08 492.9271851 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 199.1912 Annotation Unknow Peak:m/z Relative Intensity 59.9129829 5.01 68.9954071 0.63 71.8866577 24.31 73.9422989 0.22 80.7761459 0.07 83.1004334 0.10 84.2100372 0.52 85.9773712 2.46 88.8957977 10.22 93.0928192 0.09 94.9682159 0.05 97.0071564 3.20 99.9825439 0.41 107.0396576 0.11 110.1107178 0.10 112.0748596 0.27 113.9931946 57.27 114.9315491 0.05 121.3643188 0.08 126.1546783 0.22 128.0437622 100.00 131.0752106 9.30 135.1573486 0.08 136.2404633 0.36 139.0404205 0.24 153.1072998 0.66 156.8936310 0.12 163.2137909 0.27 168.8549347 0.39 171.0165863 0.30 182.1731720 87.94 188.5591431 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 413.1661 Annotation (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] Peak:m/z Relative Intensity 117.8622971 0.05 144.0908661 0.03 145.0783386 0.04 179.3579407 0.03 185.2306213 0.07 205.2815247 0.02 223.1964874 0.02 226.3235168 0.06 241.1694946 0.03 277.1652222 0.01 278.0114136 0.07 280.1544800 0.09 317.5302734 0.04 326.1304626 0.26 327.2387695 0.03 337.2964172 0.05 367.3121643 100.00 383.2664795 0.03 385.2419739 0.06 393.0663757 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 805.3328 Annotation Unknow Peak:m/z Relative Intensity 250.8670044 0.01 291.4077454 0.02 327.2210083 0.03 337.5109253 0.02 355.4087524 0.02 358.6132507 0.04 360.1857605 0.08 402.2783203 0.02 447.2334595 0.04 458.1731567 0.05 459.1960449 0.04 475.4241943 0.08 484.1190796 0.09 487.3204956 0.11 489.3696289 0.13 507.7496948 0.15 518.6267090 0.04 520.2500000 0.04 521.3215332 0.03 522.5446167 0.05 533.4532471 0.01 535.3297729 0.04 545.2396240 0.07 551.3979492 0.25 552.2481079 0.11 564.2791748 0.18 565.5558472 0.04 567.2734985 0.09 592.2498169 0.03 593.4926758 0.31 594.3016968 0.01 598.5477905 0.05 599.2924194 0.08 606.4225464 0.56 609.5266113 0.03 610.3462524 0.15 611.2476196 0.04 613.5497437 0.02 620.0999756 0.02 625.3944702 0.25 629.7147827 0.04 637.4936523 0.28 638.2838745 0.18 642.5454712 0.02 643.3649902 0.11 650.3413696 1.74 651.5184937 0.51 661.5158081 0.12 669.5281982 0.07 670.6245728 0.08 676.8477783 0.02 682.3732910 3.31 683.4491577 0.19 685.4402466 0.15 687.3787231 0.22 701.3144531 0.05 705.4736938 0.10 711.5856934 0.04 719.0315552 0.02 727.6871948 0.07 729.3862915 2.30 730.0138550 0.02 731.3236694 0.21 732.4344482 0.12 737.2609863 0.03 745.4772339 0.41 755.4492798 0.55 760.9352417 0.10 769.4910278 0.05 773.3685913 100.00 774.2808838 0.02 776.9595337 0.12 777.6730347 0.05 787.5382080 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 643.2782 Annotation Granaxylocarpin A Peak:m/z Relative Intensity 212.4694977 0.01 225.2885132 0.01 266.9457397 0.02 291.3213196 0.02 296.5091553 0.01 311.3696289 0.01 313.2302856 0.23 314.2570190 0.04 323.2485657 0.03 323.9555664 0.02 325.3273315 0.06 326.1744385 0.06 353.2755127 0.03 355.2951660 0.16 356.0028687 0.01 360.7739868 0.05 361.4511719 0.01 389.5803833 0.23 400.1558228 0.02 402.3848877 0.42 403.3999634 0.09 404.3191528 0.02 414.8140259 0.06 415.4645386 0.05 431.1426392 0.12 432.2482910 0.03 433.4120483 0.01 435.8395996 0.04 436.4848633 0.01 444.3239746 0.62 445.3997803 0.26 446.2168579 0.05 447.3790894 0.07 448.4461060 0.21 449.7137451 0.02 457.3922119 0.01 460.3864136 0.02 464.4569702 0.06 474.4541626 0.05 475.3333740 0.09 476.4611206 0.07 477.3563843 0.05 478.1889038 0.02 479.4651489 0.08 480.3314209 0.02 488.3281860 1.68 489.3978882 1.03 490.5443726 0.13 492.2887573 0.05 496.5993652 0.04 499.4982910 0.01 500.6395264 0.03 502.5960693 0.05 503.5437012 0.02 507.3178101 0.18 508.4255981 0.41 509.6830444 0.09 520.3314819 20.94 521.3718262 6.47 522.5963745 0.10 523.5109253 0.05 524.4222412 0.16 525.4038696 0.92 526.4756470 0.26 539.2587280 0.06 540.4177856 0.05 543.0393066 0.02 565.6010132 0.06 567.3938599 12.10 568.4337769 5.52 569.4064331 0.09 570.4296875 0.48 571.5094604 0.12 576.1055298 0.02 583.0386353 0.24 583.9656982 0.06 594.1699219 0.04 597.2284546 0.04 598.0780029 0.01 599.3965454 0.32 600.4020386 0.17 611.3152466 100.00 612.2680054 37.54 612.9259644 0.13 615.4149780 0.12 616.3504028 0.03 622.5001831 0.01 625.0994873 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 983.41 Annotation Basellasaponin D Peak:m/z Relative Intensity 291.5504761 0.04 467.7306519 0.05 485.5543213 0.56 499.5157471 0.15 525.9329834 0.05 553.1184082 0.04 559.5756836 0.03 569.6203613 0.03 583.6272583 0.04 595.6783447 0.11 599.4677734 2.03 639.5147095 0.78 641.6036377 0.06 643.2690430 0.02 647.5026855 0.28 653.3642578 0.06 657.5183105 5.57 661.4346313 1.35 685.1930542 0.02 701.4965820 0.02 703.5473633 0.12 715.0468750 0.03 719.3654785 0.22 739.7423096 0.05 759.1341553 0.04 777.3927002 2.95 783.3890381 0.07 801.4759521 0.18 803.6458740 0.09 804.9854736 0.73 805.6665039 0.96 819.5981445 15.09 820.4566650 0.17 821.3420410 0.11 823.4741211 69.82 824.1187744 0.68 835.4704590 0.33 845.4561768 0.07 851.6759033 0.74 863.4378662 10.35 864.1926270 0.18 877.4167480 0.15 879.3625488 1.75 880.2333984 0.18 881.4748535 32.96 882.2661133 0.09 893.4838867 0.20 907.3629150 0.07 911.4969482 0.92 912.2209473 0.06 921.3732910 0.94 923.1580811 0.47 924.3101807 1.43 925.0445557 0.06 939.4364014 100.00 940.1669922 0.10 965.2274170 0.25 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 526.76 Annotation gamma-Pentachlorocyclohexene Peak:m/z Relative Intensity 206.8656769 0.19 223.0787964 0.21 274.7454834 2.41 290.8711548 8.00 306.8296509 0.33 358.7583618 11.77 366.9560547 0.19 374.8183594 9.62 390.8361206 0.49 442.5974121 100.00 443.3616333 0.39 457.8322754 0.35 458.6419678 2.88 459.4322510 0.09 479.8225098 0.08 480.7700806 0.04 481.7526245 0.12 509.4370117 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0713 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 82.81019592 9.08 85.04148102 2.70 108.9164886 3.94 116.9192657 2.14 145.7826233 1.45 150.7623901 0.88 160.2029572 4.13 165.1193542 1.26 179.1714325 0.95 179.9995728 3.27 183.1700745 5.58 191.1616364 1.41 194.9917603 5.44 205.1400604 1.98 206.1874847 1.94 207.134903 25.45 208.1433258 3.28 209.1581726 13.35 214.9221954 24.02 219.035202 0.94 222.1299591 6.38 223.1822662 23.50 224.2084351 2.56 233.0930939 4.31 234.4417725 0.94 236.1335297 0.68 251.0782471 100.00 252.0658722 8.46 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 668.2793 Annotation Unknow Peak:m/z Relative Intensity 403.3355713 0.10 412.2910767 0.38 487.3423462 0.02 540.0247192 0.03 558.0917358 0.11 561.0124512 0.02 571.3754272 0.24 594.2006226 0.03 606.2706909 0.16 615.4283447 1.29 616.9307251 0.03 620.7213745 0.03 621.5208740 0.03 623.2982788 0.05 624.4422607 1.49 636.3053589 24.33 637.1072388 0.29 638.1416626 0.12 645.2721558 100.00 646.4620361 0.48 647.3723145 0.13 648.3869019 0.14 649.6333008 0.11 651.8176880 0.03 653.2575073 0.03 807.5111694 0.12 939.3964844 0.05 1065.1921390 0.01 1083.0386960 0.02 1084.0129390 0.02 1123.2598880 0.14 1213.4996340 0.70 1231.2828370 0.31 1272.8267820 0.08 1291.4383540 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 521.8727 Annotation Unknow Peak:m/z Relative Intensity 156.0918274 0.41 159.2010651 0.96 160.1678925 0.61 163.7957764 0.13 187.1473083 1.16 199.0388947 0.88 202.1313477 0.08 206.1188049 0.41 208.7926636 0.10 211.4042053 0.71 212.1089935 0.54 212.8555298 0.16 217.1184235 0.36 229.2407532 2.30 235.7915955 0.89 242.2924500 0.53 244.2731628 0.35 245.4057007 0.12 251.2605896 0.14 255.1538696 0.52 257.3549805 0.22 268.9653320 0.08 270.2430420 0.59 278.4134521 6.73 284.4625244 0.49 291.8653564 0.19 297.4586182 0.28 311.2672729 0.98 313.2216187 0.26 314.3218994 0.31 324.0063477 1.16 328.4507446 0.24 330.2353516 0.43 331.3569946 0.18 334.8361816 0.22 337.7429199 0.15 339.1805420 0.10 340.1223755 4.08 342.2952271 1.44 343.5154419 0.34 355.2431641 0.28 359.4696045 0.83 363.0217896 1.38 364.1894531 0.48 365.3558350 0.42 366.4761353 0.21 368.3295898 2.02 370.7580566 0.19 377.0282593 0.24 382.2863770 0.39 382.9307861 0.23 383.5447388 0.11 388.4098511 7.61 389.0211792 0.30 390.0165405 0.99 395.3002930 0.53 399.1628418 1.22 404.3599243 3.60 405.4542236 1.41 408.2421875 1.47 409.2917480 0.40 410.1513672 10.73 411.0132446 1.59 412.3543701 0.99 416.9996948 82.76 418.0182495 3.65 419.2954102 1.67 424.1475220 3.30 425.3796997 1.33 426.0514526 0.41 427.8258667 1.95 429.8457642 3.27 433.3683472 6.86 434.3385620 1.64 437.3039551 1.21 438.0328369 0.26 439.0244141 11.24 439.8350830 0.92 440.9281616 0.46 442.3095703 0.09 443.6932373 1.50 445.3943481 0.38 448.8022461 1.39 449.7985229 0.66 453.4655151 1.17 454.4909058 13.17 455.3051758 0.26 458.3439941 0.46 460.6362305 8.11 463.3704224 1.12 464.3136597 0.90 467.1021118 10.71 468.1565552 0.18 469.3983765 0.09 470.4050293 6.73 471.4266357 1.97 472.9352417 7.52 475.1184692 2.54 476.1343994 44.92 476.8983765 17.01 477.9503174 0.83 479.5092773 1.56 481.2565308 4.27 482.2482300 35.03 483.2460938 2.33 484.0502319 0.43 486.5775757 1.74 487.2155151 1.13 488.0894775 0.10 491.1982422 1.26 492.5646973 7.96 493.4349976 2.31 495.1826782 0.11 496.1481934 2.24 496.7962036 1.05 498.5034180 3.41 499.7258911 1.87 500.5014038 2.69 501.5798950 0.39 503.4312134 2.16 505.1255493 4.98 505.8380127 1.75 506.8588867 2.58 508.2994995 3.82 509.7312622 12.65 510.5842896 7.68 511.5789185 75.37 512.7886353 10.42 513.9618530 4.57 515.0408936 60.26 515.6823730 1.18 519.3142700 0.26 521.6842041 0.13 522.3552856 0.16 526.2030640 1.29 530.4705811 7.63 531.0986938 1.22 534.9954834 0.55 538.4830933 23.44 539.3660278 2.94 540.6550903 0.10 541.2669067 0.83 548.6903076 0.69 551.2654419 0.79 552.5631104 0.31 556.3658447 0.12 557.6116943 15.75 558.6456909 2.02 560.4320068 0.56 562.7040405 2.43 564.5010986 1.91 565.7369995 4.50 566.8863525 3.02 567.6194458 0.44 569.6067505 0.62 571.2885132 3.73 572.1314087 1.35 572.9655762 0.18 574.8422241 1.98 576.0236206 1.17 576.8471069 3.54 577.5834351 2.59 580.7138062 19.14 582.0790405 100.00 582.9373169 14.79 583.8369141 4.03 584.8742676 1.11 586.3689575 28.87 587.3751831 1.62 588.5697021 0.31 589.6343994 0.82 590.8886719 6.60 592.2385864 15.35 592.9356079 1.40 594.4486084 0.63 595.5446167 7.52 596.7620239 0.76 597.8059692 0.85 598.9647217 0.21 599.9065552 3.04 600.7366333 0.89 604.5341187 2.17 605.1594849 1.90 605.9653931 1.43 607.1729736 1.39 609.1570435 13.19 614.4756470 15.52 615.3287964 13.05 616.8647461 0.92 619.6095581 3.27 622.2527466 1.36 624.0338135 1.48 625.1748657 0.36 626.8134766 0.74 627.8879395 1.01 629.0841675 0.83 635.2937622 1.34 637.6567383 2.42 638.3702393 0.83 639.5053101 0.07 640.6223145 2.74 642.0957642 2.34 644.7338257 0.32 646.6453247 14.80 647.6107178 2.90 649.1534424 6.36 650.1572876 1.11 651.7839355 0.29 658.0204468 10.17 658.9087524 0.81 659.8468628 0.86 661.2581787 0.20 662.4718628 0.20 668.5165405 1.31 672.0198364 0.70 673.1442871 0.98 674.8562622 0.15 676.0344849 1.72 677.5685425 0.50 678.7484131 0.09 679.5525513 0.19 681.2548828 7.10 682.0509033 1.63 683.5798950 0.14 687.5721436 0.12 690.1638184 7.34 690.9053345 4.02 691.6809082 0.10 692.3423462 0.60 693.6659546 0.46 695.4133301 0.07 701.0214233 0.88 701.8379517 0.58 705.8346558 1.54 707.0682983 2.75 707.9177856 0.67 709.6123657 1.96 711.1350708 0.88 713.1607056 3.81 714.2387695 8.92 715.2212524 2.93 717.2974243 0.20 718.4848022 0.23 722.4756470 7.51 723.1132202 4.04 726.5605469 0.41 728.8872681 0.10 730.8248901 0.10 735.7506714 0.30 738.0493774 2.20 742.8154907 0.09 746.0341187 0.17 747.0513306 0.80 748.1016846 0.77 749.4529419 0.21 750.1090088 0.36 757.4026489 1.82 758.2722778 2.27 758.9027710 0.24 764.6715698 1.17 765.9948730 1.82 766.9177856 0.08 768.1936646 3.02 769.3187866 0.78 772.2009277 0.09 773.8166504 1.27 776.8867798 1.99 777.5398560 1.65 778.1687622 3.59 779.0509644 0.25 779.8998413 0.16 782.8810425 0.54 784.4863281 0.54 785.7531128 12.73 786.5884399 4.20 787.6774292 0.62 791.6564941 0.31 794.8560791 7.51 795.6287231 0.69 796.9684448 0.21 804.6369019 0.06 814.0434570 0.39 814.9145508 0.23 819.4990845 0.24 824.3255005 0.73 827.6837769 0.59 833.5947876 0.24 841.6118164 0.35 848.1538696 0.68 870.1022949 1.52 871.0759888 0.49 871.9707031 0.23 878.7918091 1.74 879.6865234 0.14 880.4463501 0.41 887.6203003 0.78 888.7006226 0.81 890.1929321 0.11 911.3224487 0.31 931.0857544 0.15 946.5795288 0.30 956.8187866 0.56 957.6270142 0.22 961.8730469 1.67 973.8168335 0.21 982.6395874 0.13 999.6948853 0.16 1007.8522950 0.50 1009.3615110 0.47 1012.5801390 0.37 1026.8222660 0.08 1045.4506840 0.23 1069.2377930 0.46 1082.6813960 0.12 1083.3703610 0.52 1101.8890380 0.37 1102.6350100 0.68 1109.7302250 0.33 1117.4212650 0.15 1125.9196780 0.16 1143.9870610 1.02 1246.9577640 0.31 1248.8922120 0.17 1269.0488280 0.98 1283.9444580 0.41 1486.7919920 0.27 1585.0018310 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 329.0877 Annotation Phaseoloidin Peak:m/z Relative Intensity 107.9981537 0.73 123.0231171 1.27 151.9410400 3.80 160.9456787 0.12 166.9939270 100.00 167.9768829 0.24 176.0368042 0.07 177.0032959 0.11 178.8815308 0.04 186.4695892 0.05 212.5598450 0.03 219.9993286 0.04 230.8464050 0.14 232.7934570 0.05 238.2609558 0.30 239.2059021 0.10 241.1382751 0.11 242.1107178 0.13 254.3207092 0.04 267.0932007 0.22 269.2493896 0.11 282.0747986 0.11 283.1815491 0.66 284.1285706 0.53 285.0178223 0.63 286.4040527 0.04 293.2657471 0.73 294.8927612 0.03 296.7471313 0.03 309.2201538 0.22 310.0980530 0.10 311.0612183 0.50 313.1263428 0.06 314.1359253 0.36 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 741.1631 Annotation Unknow Peak:m/z Relative Intensity 206.9455109 0.17 215.1480713 0.04 216.9219055 0.08 218.4493256 0.02 219.1148834 0.23 220.3267822 0.08 223.4363861 0.03 225.0741119 0.03 226.3360443 0.06 229.2582092 0.02 229.9398193 0.06 230.9475403 0.15 231.8319397 0.09 235.1438751 0.37 237.0068054 0.08 238.8806000 0.16 241.1554413 0.04 242.3741760 0.02 243.3920593 0.07 244.2425385 0.06 245.9877014 0.06 247.5010376 0.14 250.9159851 0.04 256.1663513 0.09 256.9152222 0.01 258.2659607 0.10 259.2659912 0.30 261.1720276 0.08 263.0686340 0.23 265.0740967 0.08 267.9154358 0.04 271.1605835 0.09 271.9352417 0.03 273.1544189 0.32 275.1721802 0.17 279.2172241 0.05 283.4021606 0.05 285.1754456 0.17 285.9747925 0.03 287.1559753 0.17 288.2410278 0.04 290.1440430 5.13 291.2119141 1.22 292.3234558 0.14 296.0923462 0.02 298.0075378 0.06 301.1418457 0.72 302.1728516 0.15 303.1138916 0.28 309.0810547 0.01 310.3787537 0.02 311.1593018 0.14 312.3381958 0.02 313.1647339 0.16 314.0988159 0.12 315.1012573 0.15 316.2794800 0.30 317.4020081 0.04 319.2026978 0.29 321.2332764 0.26 322.3062744 0.03 325.0838623 0.04 326.9135132 0.07 329.1069336 1.33 330.1316528 0.16 331.2508850 0.10 337.2662354 0.03 341.0785522 0.04 343.1771240 1.29 344.1146240 12.56 345.1674194 2.18 347.0827332 0.82 348.2103271 0.27 352.5773926 0.04 353.2234497 0.15 359.1428223 100.00 360.1662598 16.16 365.0317993 1.87 366.0495605 0.19 369.1721802 0.04 370.8352051 0.23 371.5230103 0.04 383.0912476 17.12 384.0398560 2.04 399.1001587 0.03 411.2794800 0.20 415.1972046 0.04 424.6096191 0.04 429.3419189 0.06 441.1823730 0.04 442.9797363 0.04 447.3946533 0.03 455.7390137 0.02 467.1918945 0.03 469.2158203 0.24 470.3109131 0.08 471.3729248 0.10 488.7047119 0.09 489.4126587 0.13 526.7441406 0.03 535.2425537 0.33 537.1928101 0.15 557.3503418 0.03 566.5231323 0.03 571.4954834 0.03 580.5009766 0.05 585.8921509 0.15 612.2473755 0.06 616.1023560 0.11 630.9740601 0.05 635.3930054 0.10 648.2243042 0.06 652.8980103 0.06 653.5241089 0.02 659.3086548 0.06 697.3200073 0.08 698.9128418 0.02 699.5721436 0.03 700.5769043 0.10 709.3399658 0.15 713.4380493 0.13 723.7664185 0.59 724.6278687 0.14 727.2756958 0.10 728.1690063 0.21 742.2993774 0.09 743.2491455 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 969.4324 Annotation Basellasaponin A Peak:m/z Relative Intensity 407.8433228 0.17 451.5100098 0.09 468.6536255 0.98 470.1099243 0.44 471.4600220 0.40 484.6604004 0.15 505.2944336 0.06 527.2479858 0.22 535.3833008 0.55 551.6391602 0.15 567.7731934 0.06 571.6713257 0.60 584.3332520 0.04 585.5431519 1.79 625.6690063 0.35 628.4555664 0.12 630.1746826 0.13 641.2829590 0.18 642.4961548 0.33 643.4877319 0.74 645.5429688 0.26 646.4784546 0.89 647.6426392 1.38 673.8209229 0.14 687.3527832 0.38 689.5292358 0.23 741.5143433 0.30 745.6362305 0.46 761.7182617 0.08 763.4308472 0.76 787.6845093 0.40 790.0247192 0.32 791.5723877 2.21 793.6610718 0.14 804.8513794 3.91 805.6475220 8.37 807.5426025 0.56 808.9898071 13.21 809.6567993 63.70 819.8366089 0.21 820.7094116 0.30 821.4459839 0.76 831.1835327 0.34 837.5459595 0.28 848.9083252 7.09 849.7081299 9.91 863.1707153 0.16 865.4409790 0.77 866.4833374 1.68 867.4591675 31.66 868.1251831 0.30 871.5836792 0.05 893.1315308 0.19 897.4686890 0.78 907.3545532 0.37 909.3177490 2.26 910.4973755 1.25 911.4346924 0.41 924.4188232 5.02 925.4618530 100.00 926.3501587 0.22 941.4688110 0.65 950.0043945 0.13 951.3103027 1.14 951.9308472 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1303.5588 Annotation Unknow Peak:m/z Relative Intensity 484.2264099 0.11 501.3632202 0.02 602.7454224 0.10 677.5593262 0.04 817.5871582 0.25 863.5723877 0.02 905.4504395 0.16 925.5395508 0.03 955.7717285 0.08 967.6801758 0.07 997.5894775 13.38 998.5883789 1.91 1025.5772710 0.08 1081.3337400 0.09 1125.4010010 0.05 1139.5654300 0.17 1143.5307620 1.42 1144.6850590 0.14 1155.7814940 0.19 1156.4836430 0.05 1173.5379640 100.00 1174.4855960 12.90 1175.0900880 0.04 1183.4775390 0.57 1184.4107670 0.11 1201.3763430 2.42 1202.5502930 0.51 1240.7093510 0.05 1241.5092770 0.30 1242.9606930 0.23 1243.7257080 0.24 1244.5655520 0.47 1259.4826660 4.52 1260.3293460 0.42 1266.8764650 0.04 1285.3720700 17.95 1286.5362550 0.48 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 717.3007 Annotation Unknow Peak:m/z Relative Intensity 206.1664734 0.09 233.1696320 0.05 249.0074768 0.10 257.1596985 0.22 278.2991333 0.07 299.0602112 0.36 301.0773926 0.29 307.2382812 0.09 309.1331177 0.27 310.3091125 0.23 315.3806763 0.13 323.1942749 100.00 324.0146790 0.05 337.4073792 0.08 339.3972778 0.43 348.3792114 0.11 351.0802002 0.26 354.1863403 0.15 371.3987427 0.11 377.2738037 0.07 382.5009155 0.17 401.9618530 1.04 414.2193604 0.15 416.6484985 0.07 437.4771729 0.06 447.5716553 0.12 465.4509277 0.21 467.2633057 0.20 479.1194458 0.11 488.5249023 0.14 489.6523438 0.67 490.4860840 0.89 491.4523315 0.60 495.0372925 0.22 501.1337280 0.34 505.3332520 0.15 506.1341553 0.07 508.1835938 0.28 518.2984619 0.51 520.3095703 0.13 524.0797729 0.72 535.7923584 0.59 536.4664917 1.66 537.2451782 1.92 543.9602661 0.30 546.0336304 0.11 547.1416626 0.41 550.3316040 0.12 553.4081421 1.72 554.2830200 1.73 555.2666016 0.23 559.3157959 0.09 564.8587036 0.24 568.4924927 0.32 569.5756226 0.24 572.2770996 0.10 579.4621582 0.07 586.7863159 0.21 596.7335205 0.75 600.3383789 0.33 601.0316772 0.06 604.4580688 0.12 609.3087769 0.13 610.4555054 0.08 612.4998169 3.80 613.4262085 0.65 618.0756226 0.06 622.8037720 0.51 630.4166870 0.20 636.6095581 0.14 637.3214722 0.36 638.5191040 0.31 651.3137817 0.11 652.0305786 0.10 652.9656372 0.08 654.4958496 0.44 657.1776733 0.07 658.4129639 0.10 661.3704224 0.10 666.4892578 0.07 669.6019897 0.70 670.4548340 3.38 671.5112305 2.91 672.3435059 2.45 673.4597778 0.11 680.6969604 0.13 681.4027710 0.12 682.3732910 0.05 684.3799438 0.76 685.4165039 0.46 686.6579590 0.13 693.0053101 0.33 698.2937012 5.22 699.2833862 3.20 700.1372681 0.25 707.6062622 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 330.1173 Annotation Lithospermoside Peak:m/z Relative Intensity 93.8989029 0.03 106.0194092 0.21 111.2087479 0.12 112.9189911 0.10 114.9659119 0.06 120.9182739 0.02 122.0165405 0.10 124.9575653 0.04 133.0252380 0.12 134.0254517 0.05 140.9792175 0.03 149.9852753 41.73 151.0296326 0.08 157.3662415 0.07 161.1166382 0.08 162.8863831 0.01 166.1415710 0.25 167.9613647 100.00 169.3329010 0.04 171.0950775 0.07 182.1682739 0.04 184.8249359 0.03 187.4442749 0.07 195.0511169 0.12 196.9021606 0.12 202.1873932 0.03 205.1568604 0.08 208.1804504 0.03 212.1729126 0.04 240.1872864 0.10 251.9722595 0.04 254.4113464 0.15 255.1171875 0.11 257.0093079 0.05 258.0778198 0.15 259.5875854 0.03 267.5675659 0.02 282.4249268 0.03 283.1238403 0.09 284.4647827 0.10 287.2533264 0.04 293.3073120 0.05 294.9956055 1.33 297.8431396 0.06 302.3189697 0.13 311.2440796 0.30 312.3794861 0.44 313.0410461 0.47 329.3386230 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 480.3074 Annotation PC(15:1(9Z)/0:0) Peak:m/z Relative Intensity 167.0325928 0.28 175.2405548 0.25 185.2401428 0.27 190.9014587 0.19 194.7263794 0.24 197.1374359 0.21 198.1383362 0.07 201.1935883 0.08 214.3359070 0.08 216.0834656 0.25 222.4094543 0.20 227.1749268 0.22 228.5724030 0.58 229.5467529 0.15 231.2053528 0.07 234.3313599 0.08 239.2096252 0.07 246.9772797 0.13 250.9779663 0.15 254.3049011 0.23 256.4306641 0.16 257.1979065 0.54 264.0239258 0.17 265.4016418 0.69 277.4784241 0.33 278.9657288 0.10 282.5079346 0.16 283.5817566 0.81 284.5928650 0.28 287.1495361 0.73 290.2045898 0.08 297.3428040 0.20 301.2670288 0.47 308.3150330 0.54 314.6809692 0.11 316.3699951 0.23 317.1715698 0.18 321.9447937 0.23 323.2114868 0.10 324.3428650 0.16 326.3321533 0.13 327.7774048 0.06 336.6813354 0.53 337.4928589 0.17 339.3187866 55.39 339.9383850 0.21 362.1422729 0.16 369.0230103 0.24 376.3703308 0.09 378.6361084 0.72 379.4248962 0.16 387.4444885 0.29 394.2159729 0.45 408.3368225 0.14 419.1408997 6.13 420.2494812 0.32 421.4295654 0.15 422.4696960 0.30 426.9946594 0.66 431.2048340 0.49 435.5589905 0.17 437.1776428 0.45 438.5848999 0.52 443.6144104 0.15 445.0839539 0.16 446.9533691 0.36 451.1016541 0.82 452.5380249 0.31 462.2970886 100.00 463.2185974 1.94 479.6651306 2.30 480.8072815 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 793.1865 Annotation Unknow Peak:m/z Relative Intensity 251.9863281 0.24 256.2995605 0.30 271.7996521 0.06 282.1787720 0.04 283.8576050 0.26 289.2842102 0.42 292.1720581 0.23 294.3312683 0.07 295.4498901 0.08 300.1289062 0.14 326.2734680 0.08 331.7828369 0.79 333.2784729 0.14 336.7290039 0.10 350.8323975 0.16 354.3262939 0.06 360.0533447 4.32 361.0488281 0.23 375.4705200 0.12 379.2163086 0.11 381.4454346 0.11 396.2857666 0.87 396.9702759 0.07 413.4399414 0.15 422.3706055 0.09 427.3530273 0.42 428.2714233 0.12 428.9241943 0.46 439.6610107 0.12 443.2095947 0.14 445.5145264 0.08 446.4128418 0.18 454.0820923 0.05 455.2135620 0.53 456.0950317 0.14 459.2640381 0.05 464.2516479 0.10 468.4247437 0.07 470.8451538 0.14 473.0131226 0.64 474.0201416 0.15 475.2390747 0.04 483.4534912 0.10 498.7380371 0.04 508.0701904 0.08 519.9756470 0.31 527.2953491 0.19 528.1587524 0.06 531.2672729 0.07 536.1843262 0.42 547.6604614 0.54 556.4934692 0.11 565.5696411 0.04 572.1598511 0.05 578.5839844 0.46 579.3535767 0.18 580.3931274 0.14 581.9464111 0.04 585.1641235 0.32 586.2424927 0.60 599.2848511 0.05 600.8660278 0.23 602.0885620 0.19 606.3216553 0.21 607.8729858 0.23 610.5103149 0.18 615.5487671 0.11 617.7293091 0.22 620.2658081 0.74 621.3749390 0.53 626.2532349 0.21 628.6198730 0.04 631.4235229 0.35 634.9833374 0.07 636.5703735 0.05 645.1532593 0.44 648.8688965 0.05 650.7128296 0.65 652.9197388 0.99 657.4389038 0.08 663.6488647 0.14 669.4132080 0.28 674.5012207 0.06 677.3474731 0.06 678.2231445 0.50 684.4261475 0.30 686.3272095 0.04 689.4322510 2.22 690.2522583 0.47 691.6884155 0.24 695.2565308 0.37 696.9244995 0.16 697.9987183 0.59 699.0501709 0.66 699.9463501 0.20 701.6220093 0.49 702.4985352 0.10 704.3220215 0.46 705.9757690 0.31 707.4446411 0.28 709.6741333 0.14 711.8309937 0.26 713.9382935 0.22 714.5541992 0.44 715.8428955 0.30 719.6911621 0.24 721.3865356 0.42 722.3192749 0.09 723.6561890 1.66 724.9870605 0.48 731.4962769 0.17 735.4113159 0.43 738.1170044 0.74 740.2793579 0.60 742.4392090 0.92 743.4624634 0.11 744.2872925 0.96 744.9766846 1.40 747.7130127 5.05 748.9800415 0.38 750.7286987 3.98 751.6134033 0.49 753.6612549 2.73 754.6046753 0.40 755.4956055 0.48 759.1201782 0.45 760.0587158 1.11 761.8672485 3.90 763.2891235 0.81 764.8093262 2.67 765.4466553 0.15 766.8849487 0.16 767.9530640 0.24 769.3994141 1.64 770.9414673 5.71 772.4401855 10.56 773.2136841 3.04 774.5303955 27.51 775.3404541 1.04 776.1013794 0.93 776.7542114 0.82 777.9196777 0.64 778.5413208 0.52 779.4902344 1.50 780.7750854 0.57 783.5999146 1.13 787.1970215 0.07 788.2461548 0.04 792.6702881 0.06 799.3636475 0.49 801.9775391 0.18 802.7728882 0.32 805.3164062 1.25 808.3069458 0.49 810.3384399 0.32 813.4638672 0.05 814.9768066 0.44 816.2357788 1.57 817.2775269 1.56 818.0171509 0.91 819.6438599 6.68 820.7321777 0.30 821.4705811 0.48 824.2026978 0.99 825.5608521 0.48 827.1010132 3.14 828.6710815 0.05 829.3490601 5.92 830.2056274 0.15 831.5697021 19.36 832.5105591 0.44 833.7776489 100.00 835.0962524 3.97 836.2274780 2.81 837.2376099 1.38 838.0500488 1.75 838.9998779 1.51 840.0728149 0.81 841.0046387 0.29 842.4984741 0.24 843.7491455 2.87 844.8109131 1.93 845.7006226 9.08 846.5120239 6.43 847.8795776 73.32 849.0950317 4.12 850.0184326 2.04 850.8965454 1.31 851.7927246 1.86 852.4849854 1.40 853.4062500 0.89 854.6525269 6.60 855.4513550 0.09 856.6455078 19.17 857.4481201 4.01 858.6672974 0.75 860.5003052 1.12 862.1928711 1.63 863.5413818 0.57 864.8093872 2.43 865.9191284 1.25 866.6558228 3.82 867.2825317 0.74 868.9517212 26.82 870.3961792 4.99 871.1449585 75.76 872.6288452 1.61 874.0017090 3.22 875.1729126 0.46 876.2697754 2.33 876.9230347 0.56 878.3907471 0.13 879.4548950 3.08 880.2612915 0.06 881.3217773 1.76 882.2467651 0.17 883.2113647 0.22 884.2443237 0.33 885.1829834 0.31 886.0999146 0.89 886.8600464 0.45 888.6445923 0.06 890.6538696 0.11 891.4396973 0.09 894.5706177 0.62 896.6209106 0.06 897.4539185 0.73 899.1281738 0.41 900.2668457 0.71 901.0307617 1.42 901.7819214 1.01 902.6198730 0.47 904.1753540 0.22 906.8669434 2.89 907.9523926 1.57 908.8184204 1.10 909.8708496 3.68 910.6706543 0.24 912.2822266 0.08 913.8206177 0.59 916.7366333 0.16 918.1525269 1.54 919.6488647 2.38 920.2665405 6.58 921.3068237 1.21 922.4387207 0.75 923.9248657 1.66 924.5986938 0.06 926.5985718 1.41 927.3933105 1.27 928.4877319 0.28 929.4412231 0.46 930.3699341 0.76 931.1838989 0.93 932.0847168 1.37 934.0187378 2.96 935.7634888 4.40 936.6201172 6.17 937.3566284 0.34 938.1530762 1.69 938.8567505 0.45 941.4890747 0.21 943.3957520 0.13 944.9199219 0.29 946.0463257 0.25 950.4680176 3.21 951.4505005 1.02 952.5427246 13.18 953.8256836 3.00 954.6870117 0.61 956.0219116 1.22 957.4506836 0.25 958.2370605 0.11 958.8540649 0.09 960.2380981 1.46 960.9552612 2.26 961.9147339 1.50 963.9024048 0.75 964.7589722 0.14 965.6856079 0.39 966.6523438 2.37 967.5305176 0.28 968.7753296 4.74 970.0486450 1.29 971.7229614 0.16 974.2375488 0.84 975.5563354 0.04 978.0184937 0.46 979.5527954 2.84 981.7993774 0.46 983.0585327 0.30 984.3657837 1.14 985.7235718 0.14 986.6647339 1.24 989.9119263 0.30 995.2791138 0.73 998.2424316 0.53 1001.0043950 0.80 1002.2204590 0.63 1003.5996090 0.41 1004.7952270 0.40 1006.4224240 1.49 1009.6027220 0.74 1013.2771610 0.10 1015.5725100 0.32 1018.4231570 0.17 1019.6591800 0.09 1020.4028320 0.66 1027.1813960 0.10 1028.9498290 1.32 1029.6734620 0.21 1034.6221920 0.09 1036.0220950 0.35 1038.6650390 0.13 1041.3712160 0.19 1046.7766110 0.31 1049.7357180 0.12 1052.0367430 0.05 1061.8293460 0.13 1067.3283690 0.21 1069.5173340 0.14 1077.1457520 0.50 1082.2922360 0.29 1085.6096190 0.11 1087.3454590 0.43 1088.7380370 0.28 1091.4179690 0.12 1095.3867190 0.17 1098.4726560 0.56 1101.9118650 0.05 1106.2106930 0.66 1110.7076420 0.18 1111.4104000 0.21 1114.8983150 0.47 1119.6616210 0.15 1122.9974370 0.07 1125.8524170 0.24 1129.2866210 0.69 1131.4340820 0.23 1132.8679200 0.12 1135.9613040 0.19 1140.6846920 0.23 1142.2008060 0.10 1147.3952640 0.16 1160.0400390 0.37 1161.0277100 0.16 1165.7402340 0.04 1166.5253910 0.23 1168.8232420 0.12 1171.7380370 0.10 1184.8043210 0.18 1192.8757320 0.16 1196.7036130 0.20 1207.6005860 0.13 1208.3178710 0.18 1213.6656490 0.19 1217.3487550 0.35 1221.5622560 0.57 1224.6928710 0.32 1226.2828370 0.64 1227.3436280 0.26 1227.9841310 0.19 1230.6256100 0.21 1245.3177490 0.05 1247.5490720 0.26 1258.9805910 0.23 1265.5568850 0.07 1269.8648680 0.14 1273.4664310 0.05 1274.4348140 0.19 1286.8094480 0.18 1297.9615480 0.06 1313.0882570 0.11 1334.6268310 0.16 1339.8505860 0.07 1340.7749020 0.19 1355.0610350 0.10 1362.8820800 0.34 1369.6828610 0.10 1402.7381590 0.13 1415.8842770 0.32 1426.7651370 0.39 1435.9918210 0.12 1443.7492680 0.10 1444.9713130 0.08 1450.8248290 0.15 1459.0623780 0.06 1459.9825440 0.11 1461.5334470 0.10 1462.6192630 0.24 1477.3189700 0.35 1481.9486080 0.87 1517.9252930 0.18 1537.0223390 0.21 1575.8668210 0.11 1578.6750490 0.11 1583.2874760 0.08 1588.6971440 0.05 1631.8591310 0.07 1640.7864990 0.04 1646.9537350 0.21 1649.7994380 0.22 1652.8416750 0.21 1688.1964110 0.09 1701.1309810 0.09 1770.8148190 0.09 1792.7698970 0.08 1829.1702880 0.09 1885.4049070 0.21 1908.3314210 0.26 1935.2015380 0.31 1976.2325440 0.09 1987.1403810 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 421.0023 Annotation SC-58125 Peak:m/z Relative Intensity 128.8455200 0.30 130.8453369 0.03 133.0987396 0.08 154.9292603 0.37 162.9645386 0.03 172.9545898 1.68 190.9902649 100.00 199.8610535 0.02 213.0285950 0.02 245.2151184 0.23 255.1754150 0.02 272.9127502 0.08 299.1286621 0.05 305.0812073 0.14 305.9746704 0.06 315.0034485 0.05 316.2179260 0.19 317.1448975 0.57 321.3150024 0.02 330.0358887 0.13 340.5953369 0.04 357.3945312 0.05 359.0314941 0.28 375.7953186 0.23 376.5788879 0.03 377.6797180 0.03 384.7546692 0.20 403.0024109 2.66 403.6722107 0.02 406.0685120 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 925.4456 Annotation Namonin D Peak:m/z Relative Intensity 307.2319946 0.18 308.0363770 0.09 393.2843323 0.04 455.4275513 0.08 456.1994629 0.02 500.3031616 0.06 509.2994385 0.03 525.3060913 0.03 565.7167969 0.02 569.5455322 0.13 570.4345703 0.05 582.3864746 0.02 587.3697510 0.15 597.5587158 0.06 613.5327148 0.55 614.7212524 0.15 615.7282104 0.06 631.5035400 9.16 632.4391479 3.27 633.0848999 0.01 643.7151489 0.01 655.5416870 0.07 657.5406494 0.08 658.5959473 0.02 673.4716797 0.30 674.5678101 0.44 686.5787964 0.04 687.3465576 0.12 703.7792358 0.13 716.3587036 0.04 719.3722534 0.05 720.6353760 0.02 763.5395508 0.35 764.6058960 0.09 770.0913696 0.07 775.4147949 0.28 776.4282837 0.02 777.6395264 0.06 793.5315552 100.00 794.5289917 41.68 795.1734009 0.11 805.4473267 0.33 849.4166870 2.63 850.6194458 0.97 852.5517578 0.02 863.4417114 0.11 864.3152466 0.08 865.0595093 0.07 881.7504272 0.20 882.5240479 0.10 893.5093994 0.11 894.2374878 0.04 907.4196777 0.53 908.5538940 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 551.2864 Annotation Strophanolloside Peak:m/z Relative Intensity 192.9573364 0.01 227.1044006 0.02 241.2738647 0.03 244.9471283 0.02 259.3904114 0.02 267.1145020 0.10 270.9729004 0.01 281.4729614 0.01 289.3046265 0.02 294.2695312 0.02 301.4241333 0.05 303.1343994 0.03 327.3786011 0.03 329.4002075 0.01 337.2551270 0.08 341.5041504 0.01 347.0632935 0.02 353.3426514 0.01 361.1538696 0.01 369.5281372 0.03 371.2586670 0.13 375.3231812 0.11 377.4848633 0.08 385.3286133 0.02 389.3038330 0.15 391.4239502 0.02 411.6556396 0.02 413.7268066 0.01 429.2467041 0.01 435.3028564 0.06 447.2973022 100.00 453.1884155 0.03 455.1934204 0.01 459.2129517 0.01 460.5498657 0.01 465.3594360 0.07 467.2678833 0.03 470.4855957 0.02 471.6582031 0.02 472.5836182 0.01 473.4483032 0.02 487.4503784 0.15 490.4864502 0.03 491.4501343 0.30 493.3571167 0.07 497.2274780 0.02 503.2411499 0.70 505.2383423 3.74 507.3303833 0.19 508.4713745 0.02 509.6453247 0.06 514.1944580 0.02 515.1472168 0.01 519.5963135 0.01 521.3844604 0.05 523.4505005 0.02 533.2514648 0.84 534.0216675 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.09 Annotation Phenytoin Peak:m/z Relative Intensity 78.90373993 1.90 82.97935486 0.61 89.12765503 0.25 91.01313782 1.08 95.02736664 1.50 95.92507935 1.53 96.57884216 1.50 102.9839172 4.60 107.0617523 1.36 111.022049 1.05 118.9921875 0.70 121.0847626 6.53 123.1113586 1.12 127.1022797 1.12 129.009552 12.16 130.0780029 1.30 133.1191559 4.01 134.9241486 3.55 137.1651764 1.59 139.9592438 1.30 141.1822968 1.43 143.0644379 0.49 145.2075806 0.52 146.8074493 0.82 151.0057831 98.66 152.0340118 5.10 165.0613403 4.90 166.0536652 0.64 166.864975 0.89 168.972702 4.03 171.2162628 1.40 175.1686554 7.31 176.8896027 0.87 179.0136261 3.23 180.1572876 1.78 182.0822906 2.70 183.1193695 4.58 185.2257996 2.73 190.3031006 2.06 192.9444122 3.60 195.1242828 7.06 197.1919556 10.89 198.6918488 0.70 199.5635071 3.87 207.1177521 1.37 209.0240784 1.52 211.1729584 6.60 211.9537506 1.43 214.8993683 0.44 217.093338 9.95 221.377121 1.12 225.0665436 15.60 228.7307129 1.14 233.91008 0.57 235.1998901 30.72 238.1273346 12.61 239.0667725 0.77 253.1028442 100.00 254.4938507 2.68 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 973.9221 Annotation Unknow Peak:m/z Relative Intensity 278.2680664 0.49 279.2466431 0.38 303.2330627 0.39 313.0758057 0.10 324.3541260 0.34 325.2238159 0.26 331.0899963 0.14 338.5661621 0.15 341.2251587 1.32 357.2011108 0.21 359.4310913 0.54 369.2633057 0.28 375.5675964 0.16 378.0932007 0.56 381.5402222 0.31 386.2940063 0.07 392.2229004 0.47 406.8185120 0.17 410.2554932 0.69 411.3430176 0.16 417.3625488 0.10 436.4086304 0.19 446.1250000 0.34 449.9592896 0.16 452.3139648 0.57 453.3616333 0.32 463.6626587 0.20 469.4942017 0.16 470.5595093 0.20 472.3176880 0.21 477.9749146 0.25 487.4504395 0.48 488.6071777 0.10 489.3068237 0.21 490.4796753 0.08 495.3914795 2.20 496.2326660 0.26 505.2459106 0.43 506.3476562 1.40 507.2256470 0.37 508.5849609 0.42 510.2396240 0.32 522.8633423 0.40 524.5013428 0.37 528.5198975 0.42 534.4343262 0.33 538.3264160 0.46 540.7011719 1.00 547.7331543 0.29 556.0567627 0.50 559.4882202 0.21 565.4099731 0.70 568.4721680 0.30 571.4642944 0.10 576.6043701 0.21 578.3519287 0.18 585.4027100 0.21 593.9928589 0.14 596.4304810 0.21 615.6730347 0.33 619.6067505 0.29 625.6306763 0.46 631.2897339 0.57 635.3717651 0.36 644.3569336 0.19 649.0620728 0.98 658.5344849 0.33 672.2148438 0.66 673.6361694 0.16 713.3358154 0.07 717.6412964 0.14 727.2241821 0.40 736.5934448 0.28 740.7377319 0.13 742.7299805 0.29 745.8926392 0.91 756.5558472 0.07 764.4426880 0.18 768.6488647 0.39 781.3460083 0.13 787.2330933 0.26 801.2976685 0.69 808.4442139 0.44 817.7463379 0.21 818.5678711 0.38 828.0720215 0.77 830.5592041 0.94 833.5786743 0.46 835.2670288 0.87 843.5312500 0.55 849.0695190 0.92 853.5646362 0.07 856.1603394 0.45 858.5141602 2.04 865.6961060 0.16 871.8334351 1.20 875.8950806 2.22 876.5855103 0.34 877.7644043 1.16 878.8447876 2.29 881.0901489 1.40 881.7218628 0.49 882.9077148 1.00 885.5609741 2.29 886.4083252 0.80 890.1899414 0.72 893.2228394 1.49 894.2770996 0.70 895.0278320 0.16 897.9381104 1.38 900.6731567 2.86 901.8159790 0.45 902.7160034 1.63 904.5580444 5.72 905.8226929 1.85 906.7620239 4.53 907.5811157 4.49 909.2916870 9.78 910.6801147 6.65 911.3814697 1.01 912.0772095 1.30 913.2166138 3.34 914.1159058 18.75 915.0366211 3.76 916.0496216 3.82 916.8976440 5.15 917.6198120 0.85 918.7017822 2.15 919.5864868 5.37 921.2271729 6.48 922.0348511 1.31 923.0230103 1.56 924.2745972 4.35 925.2698975 4.72 926.4970703 4.19 927.2412720 0.64 928.2612915 0.95 929.2156982 4.87 929.9843140 4.46 930.6194458 1.58 931.4849854 1.08 932.2325439 1.27 933.2780762 12.41 934.1182251 14.44 935.0527954 0.50 936.0067139 3.28 937.5933228 17.45 938.4395142 11.19 939.1140137 8.51 939.9901733 1.13 941.5939331 10.72 942.1946411 16.53 942.8864746 7.94 944.0576172 2.77 945.5068359 7.45 946.4699707 16.69 947.2897339 2.03 948.5678711 3.12 950.1555176 2.70 951.2478638 9.23 951.8685913 9.46 954.3921509 17.76 955.3411255 5.18 956.1632690 11.91 957.2429199 11.92 959.0724487 68.36 960.2233887 3.05 961.6392212 90.31 962.8876953 10.59 963.6423950 100.00 965.8876953 13.93 966.6494751 1.38 967.3657227 0.16 969.4849243 0.13 970.4060059 0.36 972.0598755 0.20 973.8112183 0.42 983.6463013 0.38 995.5107422 0.75 1006.5023800 0.26 1008.6120610 0.74 1015.8501590 0.72 1017.2925420 1.35 1020.6013180 0.29 1023.3308110 0.58 1034.0025630 0.13 1037.3554690 0.16 1043.8635250 0.24 1044.9021000 1.32 1046.2716060 0.33 1049.0449220 1.07 1054.0358890 1.09 1055.3166500 1.50 1056.5612790 0.38 1057.3540040 0.38 1058.0385740 1.01 1059.2073970 0.23 1061.0891110 2.10 1062.5275880 0.46 1063.4375000 1.14 1064.9322510 0.56 1065.9184570 0.82 1070.6794430 0.88 1071.8253170 0.47 1074.1149900 1.13 1075.6763920 1.38 1076.4787600 0.66 1078.2569580 0.81 1080.5942380 0.89 1081.3646240 0.30 1082.1802980 1.46 1083.9024660 0.88 1087.2086180 2.06 1088.0931400 1.95 1089.0490720 1.50 1091.0805660 0.92 1093.2097170 2.51 1094.7580570 1.28 1096.7932130 0.10 1098.0272220 1.73 1099.1578370 2.89 1100.3935550 1.31 1101.0812990 0.06 1102.3408200 0.65 1103.8118900 0.48 1105.4169920 0.91 1107.5810550 0.27 1108.4356690 1.95 1109.1625980 1.81 1109.8524170 0.21 1110.6269530 0.88 1111.5173340 1.84 1112.7775880 2.03 1113.5596920 1.76 1114.9615480 1.04 1115.5625000 1.57 1117.2646480 0.33 1118.1645510 1.43 1119.0810550 8.95 1119.7191160 16.46 1120.3762210 2.65 1122.0091550 3.06 1123.9816890 2.36 1124.8764650 6.96 1125.6940920 2.32 1128.2410890 1.66 1128.9143070 1.10 1130.0673830 0.95 1130.9379880 1.23 1131.6955570 4.01 1133.0708010 0.51 1133.9427490 1.39 1136.8684080 3.89 1137.6022950 3.59 1138.2121580 1.09 1139.0964360 0.21 1140.6281740 1.30 1141.4315190 0.56 1142.9443360 4.20 1144.0541990 1.80 1145.0935060 0.73 1147.4686280 0.77 1148.0827640 1.21 1150.0272220 2.12 1151.1839600 3.45 1152.3559570 1.40 1154.4565430 0.60 1157.1782230 14.15 1158.0211180 0.40 1158.9564210 0.19 1160.2745360 2.06 1161.0130620 4.50 1161.7197270 5.48 1162.6530760 1.43 1163.6718750 1.90 1164.9183350 0.80 1165.8181150 0.65 1167.0628660 9.96 1168.0109860 3.99 1169.1169430 7.52 1169.9780270 1.68 1170.9967040 1.63 1171.6190190 1.14 1173.6833500 5.99 1174.3000490 12.25 1175.0699460 2.60 1175.8282470 4.81 1176.9847410 4.41 1178.3398440 3.73 1179.9743650 15.70 1180.6926270 7.78 1182.0002440 6.01 1183.2495120 5.28 1184.3270260 2.17 1185.8286130 9.48 1186.7202150 1.54 1188.4707030 4.66 1189.4949950 1.43 1190.6885990 6.20 1191.3671880 1.98 1192.2066650 0.78 1193.1359860 0.93 1194.0395510 0.90 1194.9748540 6.42 1195.9897460 3.76 1196.9814450 4.28 1198.4661870 2.07 1199.4089360 1.00 1200.3771970 14.22 1201.0595700 20.44 1202.5502930 5.33 1204.1118160 4.86 1205.2722170 6.32 1206.2119140 8.78 1207.1004640 9.53 1208.3176270 1.99 1209.3964840 5.28 1210.5323490 2.12 1211.5617680 13.61 1212.6964110 8.67 1213.5026860 4.13 1214.4470210 1.73 1215.4763180 5.04 1216.5239260 1.03 1218.0512700 24.72 1219.1621090 11.37 1220.1145020 2.51 1221.5961910 9.33 1222.4361570 7.11 1223.6717530 4.45 1224.5568850 0.13 1225.4753420 3.21 1226.4154050 0.87 1228.7248540 10.09 1229.6577150 2.34 1230.4033200 0.94 1231.4654540 2.22 1232.1121830 0.88 1232.9990230 4.27 1234.1693120 2.62 1235.2966310 2.54 1236.1849370 5.54 1238.6716310 22.49 1239.5201420 6.72 1241.3627930 9.37 1242.2966310 4.76 1243.3647460 7.41 1244.6223140 46.85 1245.4416500 22.82 1246.2980960 3.02 1247.8421630 4.99 1248.6198730 1.56 1249.7445070 32.12 1250.8231200 63.88 1251.6369630 16.15 1252.6152340 1.37 1254.3388670 7.25 1255.7922360 36.80 1256.7928470 17.70 1257.7299800 0.62 1260.2224120 11.41 1260.9138180 19.21 1261.5894780 5.72 1262.3649900 3.20 1263.7015380 4.61 1264.9854740 3.44 1266.5437010 2.70 1267.4426270 5.95 1268.1734620 0.66 1268.9636230 0.54 1276.5576170 1.78 1288.4583740 0.40 1299.5852050 0.66 1309.0321040 0.40 1312.8602290 0.68 1318.4102780 0.26 1323.8575440 0.31 1330.2349850 0.17 1335.1655270 0.27 1337.0538330 0.51 1340.0587160 1.08 1342.6259770 0.12 1344.4938960 0.13 1346.8944090 1.01 1348.2735600 0.25 1354.1663820 0.46 1357.9085690 0.81 1361.0418700 0.43 1361.7886960 0.43 1364.3272710 0.81 1367.7119140 0.40 1370.7537840 0.15 1381.2349850 0.60 1384.2896730 0.21 1386.3470460 0.30 1390.6153560 0.68 1393.4764400 1.45 1398.2824710 0.21 1407.7370610 0.37 1408.3885500 0.54 1413.6358640 0.24 1417.6683350 0.34 1418.7777100 0.90 1426.5294190 1.27 1430.5944820 0.51 1437.6361080 0.07 1438.3739010 0.56 1442.9254150 0.60 1447.7023930 0.25 1448.5933840 0.40 1449.5322270 0.60 1457.1064450 0.63 1464.2611080 0.54 1468.6768800 0.13 1472.3260500 0.39 1476.9185790 0.71 1479.1234130 0.21 1484.2232670 0.17 1492.4681400 0.95 1498.4661870 1.62 1503.6391600 0.63 1506.9793700 0.90 1507.7305910 0.75 1510.1248780 0.53 1511.7183840 0.09 1520.4364010 0.25 1525.3782960 0.22 1526.2917480 0.18 1532.6445310 1.59 1534.3640140 0.43 1539.7022710 0.13 1540.6915280 0.73 1547.8588870 0.21 1553.3551030 0.56 1555.5751950 0.39 1570.8214110 0.36 1574.9649660 0.88 1577.7611080 0.18 1578.5629880 0.37 1586.3431400 0.48 1587.3148190 1.25 1588.9365230 0.44 1591.2994380 0.13 1594.6715090 0.57 1596.9030760 0.73 1599.9879150 0.14 1604.6614990 0.68 1605.6053470 1.33 1612.4700930 0.07 1613.5299070 1.00 1614.9022220 4.00 1615.9680180 0.68 1622.9681400 0.23 1624.2852780 0.59 1629.6521000 0.56 1633.1885990 0.13 1634.7347410 0.34 1635.4432370 0.15 1637.5643310 0.19 1639.4654540 0.24 1644.4431150 0.46 1647.8321530 0.60 1648.7366940 0.63 1656.9144290 0.53 1658.2692870 0.29 1660.1688230 0.21 1683.1846920 1.13 1687.7564700 0.66 1695.7453610 0.19 1697.0119630 1.39 1698.2508540 0.53 1705.6348880 0.43 1706.4304200 0.30 1718.4626460 0.50 1722.8472900 0.63 1739.9172360 0.38 1743.8089600 0.24 1751.1457520 0.91 1752.4471440 0.40 1759.8487550 0.39 1767.0518800 0.72 1793.6151120 1.42 1795.5020750 0.86 1802.7628170 1.32 1811.4005130 0.48 1812.7823490 0.61 1850.6781010 0.11 1867.7957760 20.10 1873.1373290 0.38 1877.0386960 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 583.4139 Annotation Prasinoxanthin Peak:m/z Relative Intensity 165.2547302 0.38 166.0905762 0.13 167.0460052 0.56 169.1315613 0.59 171.0378723 1.23 173.1148682 1.09 175.1281281 0.80 175.9519806 0.20 177.2036743 0.56 178.1626282 0.16 179.0662994 1.03 180.8501740 0.57 182.0111389 0.24 183.0724792 1.18 185.1596527 1.95 186.1958466 0.48 187.1324463 0.42 189.0011749 1.72 191.0833130 0.94 192.1882935 0.42 192.9500732 0.68 195.0860291 1.16 197.2120056 0.62 198.0795288 0.42 199.0420532 1.50 201.0942688 0.80 203.1863098 1.78 205.0815735 0.70 207.0173340 2.23 208.0034180 0.38 209.1025696 2.04 210.9504089 0.78 213.2209625 1.02 214.1533203 0.17 215.1420441 0.82 216.8864441 0.63 219.1680298 0.68 221.0665588 7.38 221.6750488 0.06 222.8824768 1.68 223.5138397 0.07 224.2479248 0.18 225.0849304 2.15 226.7783203 0.66 227.5383301 0.53 229.3674927 0.06 230.9111328 0.88 233.3032227 1.18 235.0334015 1.29 235.6489410 0.14 236.2823486 0.25 237.2169495 2.49 239.2522125 1.33 241.2898254 0.41 243.0654907 0.72 245.4905396 0.35 246.4578247 0.37 247.3336639 1.67 249.4134216 0.30 250.1953430 0.32 251.3174591 0.92 253.1966553 1.12 254.1535034 0.54 255.2686462 0.71 257.0976562 1.38 259.2532349 0.57 260.1737976 0.18 261.2820435 0.80 262.2215576 0.55 263.0410156 1.10 264.0612183 0.20 265.0925903 0.47 266.3918457 0.50 267.4226990 0.42 269.1085205 0.82 270.1647339 0.16 271.1142578 0.19 272.1853027 0.42 273.3308411 0.99 275.1342163 1.39 277.3153381 1.59 279.1279907 2.81 281.2082520 1.34 283.2510071 2.70 285.1770020 0.49 286.1837158 1.33 287.1998901 1.45 288.6120605 0.27 291.1228333 0.65 293.2796631 0.88 295.3131409 2.43 295.9359741 0.16 297.3163452 0.95 298.0318604 0.54 299.2683716 1.88 300.4053955 0.69 301.3487549 1.06 303.3000488 1.12 304.0347900 0.18 305.1356812 1.40 307.4152222 0.98 308.1077271 0.20 309.1355591 0.64 310.6684570 0.65 311.3897705 0.65 312.3414917 1.88 313.3709106 0.66 314.3976440 0.95 315.2775879 0.67 317.2545776 1.77 318.3695679 0.34 319.1994019 1.72 320.4316101 0.23 321.3345337 1.37 323.3060303 0.73 325.1718750 1.87 325.7839966 0.30 327.2705078 1.29 328.1029053 0.17 329.3107910 1.46 331.1934814 1.40 332.1323853 0.48 333.4669189 1.00 335.3720093 0.66 336.4955444 0.19 337.3588257 0.65 339.3297729 0.24 340.0288086 0.35 340.8356323 0.19 343.4710693 1.00 345.3134155 0.72 346.2472534 0.44 347.2316895 1.65 348.1770630 0.98 349.3389893 2.26 351.3608398 0.13 352.4334106 0.80 353.3868408 0.73 355.4274902 1.35 357.4454346 4.76 358.4658203 0.07 359.3756714 0.22 360.6181641 0.25 361.6510010 0.61 363.4246826 0.44 365.2498779 2.10 366.3368530 0.38 367.3324585 0.10 370.0782471 0.60 370.7761230 0.11 371.4304810 0.61 373.4819946 1.70 374.2080078 0.21 375.4226685 7.08 376.6910400 0.25 377.5006104 1.19 379.6400757 0.18 380.5526733 0.24 383.2137451 1.28 384.2126465 0.59 385.3194580 4.09 387.3690186 0.63 389.3519897 0.78 390.2259521 0.16 391.3557739 0.46 393.4385376 0.47 395.3983765 0.37 397.3206787 0.71 399.3159790 0.63 400.4096680 0.28 401.7116089 0.35 403.3491821 8.65 404.9839478 0.57 407.3574829 1.15 408.3244019 0.22 409.3408813 1.53 410.4708252 0.25 411.4353638 1.03 413.5068359 0.52 414.3378296 0.16 415.5130615 0.46 416.4425049 0.20 417.4295044 0.84 419.4000244 0.64 421.8724976 0.59 422.5487061 0.63 423.4417725 0.58 425.1412964 0.97 427.4330444 0.37 429.3078003 0.56 430.4672241 0.46 431.5472412 0.26 434.0070801 0.22 435.3252563 0.67 437.3754272 0.80 438.2557373 0.61 439.6076660 0.09 441.3848267 1.34 443.4154053 0.44 444.2633057 0.18 445.4938354 1.29 446.2036743 0.13 447.3823853 0.33 449.4313965 0.39 450.3746338 0.35 451.2061157 0.95 453.6973877 0.73 454.4629517 0.34 456.4425049 0.09 457.3090820 0.07 459.5576782 0.27 460.4827271 0.18 461.5148315 0.56 462.8261719 0.21 465.4150391 0.37 466.3864746 0.30 467.4730835 0.35 469.5077515 0.13 470.1472168 0.15 471.4519043 0.76 473.4809570 0.35 477.3695068 0.14 479.2563477 0.08 481.6076050 0.13 483.3343506 1.27 485.3529053 1.17 488.2651367 0.16 489.3555298 0.32 491.2653809 4.43 491.9303589 0.06 492.5496216 0.25 494.1845703 0.19 495.2224731 0.33 496.1194458 0.18 497.5568237 0.14 499.5656128 0.19 502.2758789 1.49 503.3270874 1.20 505.2710571 0.52 507.2058716 0.25 509.4962769 3.82 513.9105225 0.29 515.6000977 0.65 519.5502319 0.61 520.5844116 0.19 522.4177246 0.45 523.3639526 0.48 524.7548218 0.33 525.3872681 0.40 526.0094604 0.10 527.5066528 2.77 528.1453247 0.12 529.8412476 0.36 532.5997314 0.11 533.9320068 0.75 534.7452393 0.12 536.9884644 1.26 537.9867554 0.62 539.4966431 0.35 540.7633667 0.19 541.4493408 0.64 547.4632568 10.39 550.0493774 0.70 551.4287720 0.56 554.0725098 0.52 565.4205933 100.00 566.1883545 0.98 568.3836670 0.19 581.4492798 0.08 582.7827759 0.56 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 521.0914 Annotation 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide Peak:m/z Relative Intensity 302.2435913 0.04 330.3353271 0.10 345.1443481 100.00 346.1832886 0.19 369.1586914 0.02 380.4951172 0.05 386.9637451 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1279.5629 Annotation Moluccensin F Peak:m/z Relative Intensity 437.3388367 0.04 453.6321716 0.23 472.4370728 0.08 499.4940186 0.43 500.2625122 0.23 517.4301758 4.70 518.4195557 1.48 559.5002441 0.31 603.4481201 0.07 637.5594482 0.07 663.2946777 0.18 694.5524902 0.08 807.8146973 0.15 809.6179810 0.20 810.5740356 0.16 825.5363159 3.91 826.5012207 0.44 867.6804199 0.49 910.4620361 0.06 971.5500488 100.00 972.6271973 39.00 985.4309082 0.15 1103.6198730 1.26 1104.2802730 0.15 1104.9094240 0.20 1111.2910160 0.07 1130.3305660 0.12 1147.3745120 0.35 1148.3344730 0.29 1149.6003420 0.41 1218.6101070 0.04 1236.7006840 0.30 1248.4536130 0.15 1261.3002930 0.30 1262.5295410 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 501.92 Annotation Unknow Peak:m/z Relative Intensity 149.1059265 0.02 155.0849152 0.04 159.0145111 3.02 160.0061646 0.47 199.1153870 0.55 200.0828705 0.25 217.1834564 0.08 229.0319824 0.66 230.1336060 0.04 271.1612854 0.03 273.0043945 52.08 274.0416565 15.14 384.0565796 0.05 385.0784607 0.20 386.9645996 100.00 388.0555725 42.46 411.1665649 0.06 426.8958740 0.12 428.0179443 0.17 455.0734863 0.12 456.8812866 0.03 457.9010315 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1071.5042 Annotation Aeruginopeptin 917S-A Peak:m/z Relative Intensity 420.9725037 0.19 423.5413818 0.24 425.6352539 0.04 439.3999634 0.29 450.3916626 0.10 451.5108643 0.45 469.4117737 9.17 470.0946960 0.02 471.4023438 1.08 479.4739990 0.11 481.5790405 0.04 483.5006104 0.14 493.3273010 0.51 495.5379639 0.08 497.3829041 0.08 499.4291382 0.07 501.8900757 0.16 503.6160278 0.08 511.5326843 0.13 518.6975098 0.17 519.5914307 0.11 521.4602051 0.03 523.1926270 0.13 537.4814453 4.82 538.0985718 0.06 539.7249756 0.04 541.5115967 0.21 547.3713379 0.54 551.5217285 3.94 563.4548340 5.42 565.4935303 5.82 567.6608887 0.04 579.2239380 0.06 583.4736328 4.04 584.1434937 0.05 588.7734375 0.07 589.5651855 0.04 591.4155273 0.04 597.6385498 0.83 601.4959717 1.06 605.0330200 0.14 607.5901489 0.52 609.4093018 2.65 615.5704346 0.06 625.6547241 0.10 627.4165039 1.27 635.5176392 0.06 636.3375244 0.06 637.3784790 0.04 643.4464111 0.09 645.4207153 0.09 683.7742920 0.11 697.5632324 6.29 700.4089966 0.12 715.5900879 10.35 727.4774170 0.24 733.4735107 0.92 735.5178223 0.04 739.7181396 0.07 741.3936768 1.00 743.4803467 0.16 745.4172974 0.05 753.2019043 0.01 753.8125000 0.15 759.5590210 5.90 767.5238647 0.02 769.5832520 0.04 771.5078125 0.86 777.5954590 6.81 778.7191162 0.03 780.0944824 0.03 789.4284058 0.18 792.3991699 0.10 801.4829102 0.09 807.2509766 0.11 819.5683594 0.54 824.6319580 0.04 825.5812988 0.03 828.5274658 0.04 829.5938721 0.17 832.8198242 0.16 833.8150635 0.07 839.3482666 0.36 846.7973633 0.20 847.4672852 1.92 861.6584473 0.10 865.7578125 0.16 866.4698486 0.22 867.7513428 0.08 877.2379150 0.10 878.7171631 0.09 890.7174072 0.06 909.4853516 100.00 910.1800537 0.38 921.4650879 0.07 925.5733643 0.06 934.4245605 0.04 939.5848389 13.68 940.9641113 0.73 941.6322021 1.11 948.5583496 0.05 949.4610596 0.47 951.5461426 4.07 952.1987305 0.06 955.2770996 0.05 968.3173828 0.07 975.6240234 0.06 982.2365723 0.16 983.1868896 0.15 991.2375488 0.10 992.4543457 1.23 993.5601807 0.80 1011.6142580 0.43 1024.5173340 0.18 1025.2207030 0.05 1027.0284420 0.49 1037.3212890 0.12 1039.2780760 0.05 1053.4902340 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 715.3906 Annotation Unknow Peak:m/z Relative Intensity 213.2268982 0.02 281.3378601 0.11 283.3726501 0.04 291.0132141 0.04 293.1889343 0.12 309.3091431 0.33 310.0941772 0.02 324.2308350 1.51 325.4784546 0.16 326.5939941 0.15 339.2162476 3.89 340.0563354 0.04 347.2753906 0.05 359.4246216 0.09 361.3348999 2.15 372.5231934 0.04 388.5328369 0.06 400.9700928 0.12 436.5512085 0.05 451.5959473 0.07 455.2087402 0.13 465.4600220 0.09 470.2773438 0.09 475.6698608 0.48 477.4901733 0.10 479.3858032 0.02 487.2232056 11.54 487.8578491 0.10 489.4260254 0.08 491.3341675 0.26 492.7077026 0.18 493.4467163 7.49 500.1812134 0.07 505.1124878 0.22 507.3958130 0.16 517.1236572 0.30 523.3627930 2.19 525.4721680 0.24 529.7139282 0.14 535.3090210 1.12 537.3834839 0.18 538.1279907 0.12 539.3755493 0.26 547.5569458 0.05 552.3340454 0.49 553.5107422 0.61 555.0078125 0.17 564.2953491 0.12 565.5718384 0.16 574.3042603 0.03 577.3074341 0.05 583.4286499 0.34 598.4938354 0.15 599.9938965 0.08 603.9253540 0.08 607.7031250 0.05 608.6953735 0.05 616.8669434 0.11 623.5029297 0.08 624.1082764 0.05 625.6968994 0.18 627.2800903 0.58 629.4869995 0.05 635.2643433 0.17 636.4669800 0.07 637.6071167 0.17 652.3696289 0.04 654.7554932 0.78 655.5005493 6.54 656.6597900 0.03 665.3536987 0.03 667.3263550 1.26 669.3908081 100.00 670.1016235 0.80 670.7650757 0.02 671.4552612 0.15 679.4724731 0.85 680.3125610 0.16 682.3397217 0.04 683.1955566 0.05 685.4807739 0.17 686.7457886 0.05 692.4212036 0.31 693.4363403 0.08 697.4263306 15.36 698.2449951 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 780.4572 Annotation Unknow Peak:m/z Relative Intensity 220.6361084 0.04 239.3963928 0.04 243.1759491 0.11 244.2457581 0.01 257.2831421 0.11 259.3208008 0.09 261.1905518 0.23 263.0652466 0.10 265.0242920 0.14 268.1654968 0.03 269.3213501 0.04 275.2943726 0.05 283.1457520 0.13 285.3599243 0.08 287.2599487 0.52 300.9773560 0.01 303.3780823 0.13 305.1858215 0.69 309.0027161 0.38 309.6167603 0.02 313.5466919 0.04 325.1679688 0.06 327.2495422 0.28 329.1765137 0.19 331.2371216 0.43 333.2192993 0.04 342.0772095 0.04 347.1468506 0.09 349.2637329 0.69 351.1063843 0.02 353.0418091 0.18 371.3432617 0.11 372.9586182 0.01 375.1785278 0.80 377.0376587 0.05 381.4614868 0.11 389.2177734 0.03 391.3529663 0.35 393.2805176 1.26 395.2496948 0.05 397.1502686 0.14 399.5335083 0.05 403.3394775 0.03 411.3578491 0.10 415.3183594 0.09 417.3209229 0.08 419.1812134 0.32 421.4731445 0.09 437.1190796 1.23 437.7432251 0.06 439.2226562 0.08 441.2051392 0.15 454.1532593 0.04 455.4316406 0.11 459.6108398 0.03 461.8175659 0.04 463.2623291 0.20 476.6449585 0.07 479.0429688 0.02 481.2761230 1.52 483.2662354 0.03 494.5683594 0.03 498.2846069 0.02 499.5212402 0.41 501.2799683 0.05 505.7981567 0.02 507.0007935 0.02 507.6416016 0.27 509.1423950 0.03 519.2862549 0.02 524.6693726 0.23 525.3308716 1.36 526.6307373 0.02 527.3145752 0.07 543.3084106 0.27 546.5679321 0.01 551.3251953 0.08 553.4600220 0.01 560.3455200 0.05 565.3102417 0.07 569.3131714 2.25 571.3049927 0.05 584.5941772 0.02 587.4218140 0.45 588.2469482 0.02 595.9133911 0.04 598.7203979 0.08 599.4062500 0.05 600.5802002 0.03 604.6702271 0.04 605.7295532 0.04 608.7897339 0.12 611.1925049 0.06 613.3496704 1.49 615.5271606 0.09 618.1511230 0.05 623.0785522 0.13 625.5690918 0.05 627.5497437 0.23 631.4619751 0.96 639.2020264 0.02 642.3026123 0.03 644.3527222 0.03 657.2631836 1.47 659.2347412 1.78 660.5611572 0.10 675.3967285 2.37 681.4175415 0.03 682.2180786 0.06 683.1112671 0.02 697.5056763 0.08 700.5559692 0.03 701.2592773 0.53 719.3358765 2.47 720.0750732 0.03 726.2548218 0.07 727.2180176 0.02 730.4940796 0.07 731.3400879 0.04 738.1948853 0.03 743.4345093 0.05 745.2872925 1.57 747.4585571 0.25 748.3113403 0.34 761.3909302 0.28 763.3385010 100.00 764.0100098 0.26 771.4140625 0.02 773.3578491 0.03 781.8170776 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 307.12 Annotation Unknow Peak:m/z Relative Intensity 91.1322098 0.03 92.7459106 0.14 94.9986114 0.30 96.9668732 0.24 98.8971405 19.21 105.2812805 0.09 107.1594696 0.21 109.0635223 1.75 112.9750519 0.15 115.0900269 0.79 119.1137848 0.36 120.9268188 0.30 121.8750000 0.05 125.2389679 0.08 127.0511551 0.58 130.1432190 0.21 131.1798248 0.22 133.0926514 10.21 139.0883179 0.72 140.9270935 0.13 146.9586945 1.04 148.9259033 1.03 151.0217285 1.23 152.9338379 2.65 154.1987457 0.06 156.1847687 0.20 161.1107788 0.10 163.0997314 1.43 166.3750916 0.19 169.0329285 1.01 173.1541443 15.33 175.1038055 0.17 177.2461700 0.06 185.2110596 0.07 187.0453491 0.05 189.0097504 0.03 191.0723267 60.52 193.2307587 0.34 194.0478058 0.06 200.7063904 0.15 203.3500061 0.05 204.8682861 0.14 209.0642395 100.00 211.0249634 0.05 216.2402344 0.12 216.8489990 0.16 218.8074036 0.15 227.0630798 19.19 231.1293335 0.08 234.2922668 0.10 237.1633911 0.07 242.6485596 0.19 243.4321899 0.05 246.9304810 0.43 249.4281616 0.17 250.9450684 0.11 260.9503784 0.39 263.1044617 1.09 265.8643494 0.08 271.0383301 0.94 272.0704041 0.18 278.6516418 0.16 279.2606812 0.60 288.9653320 29.70 289.9085693 0.24 291.6358032 0.22 292.2774658 4.95 293.2156372 0.34 298.4600830 0.25 307.0985413 0.44 316.1765747 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 682.2944 Annotation Unknow Peak:m/z Relative Intensity 205.0457916 0.15 216.8336945 0.15 234.9513550 0.44 235.6242523 0.48 260.3341675 0.12 277.0306091 0.39 325.2764893 0.74 337.2262878 1.03 338.2944946 0.61 344.3752441 0.21 404.4549561 12.99 405.0960083 0.29 411.3425903 0.32 423.0639648 0.95 423.7643433 0.10 439.4320068 8.69 440.6469116 1.97 459.8696289 0.39 476.2015991 1.26 481.0325928 0.32 481.6806030 1.01 483.3171997 0.14 499.1052856 0.18 523.4110107 1.19 528.3475952 1.34 550.2686768 4.51 550.9190674 3.12 555.3120728 2.51 556.0494995 0.18 564.2802734 1.30 567.5115356 0.54 568.5944214 0.53 571.1810913 0.25 572.1444702 0.15 584.8709717 0.15 588.9525757 1.06 599.1095581 0.12 606.0910034 1.21 609.2005005 0.15 613.3671265 0.20 616.4918823 100.00 617.6129761 0.43 621.2015991 0.13 638.3045044 0.43 658.7676392 1.25 659.4066772 0.61 673.4124146 1.01 717.1179810 1.59 718.4111938 0.11 731.5084229 0.25 759.1166382 0.33 809.4519653 7.78 810.5155640 0.40 851.5712280 1.37 852.5507812 0.12 863.5198364 3.16 864.7118530 0.15 907.1192017 0.43 926.0302734 0.48 937.5299683 0.39 938.5266113 0.27 941.9473267 0.38 995.4775391 22.80 996.5351562 6.01 997.3776855 0.17 1057.6550290 2.06 1058.3753660 0.20 1083.5971680 1.94 1084.4882810 0.36 1088.8012700 0.48 1129.9040530 0.25 1215.2293700 1.01 1216.1785890 2.57 1216.8531490 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 491.1754 Annotation 6'-O-beta-Apiofuranosylsweroside Peak:m/z Relative Intensity 144.9417114 3.47 146.0634003 1.27 151.1764221 2.64 176.9795380 100.00 195.0037231 12.06 195.6890259 0.29 197.0798340 0.94 210.9483490 0.92 255.1188660 0.50 261.9994202 1.40 282.0828857 0.47 285.0934753 1.39 297.1930847 1.58 308.1522827 1.70 311.2271729 3.65 319.2546082 1.00 320.2304688 2.65 320.9555054 2.53 328.8496704 91.51 329.5942383 0.16 334.4674683 0.36 338.4459229 23.26 339.1411133 84.48 347.1536865 0.29 358.8329468 1.00 419.1653748 1.13 429.2708130 3.00 455.5529175 0.77 461.4725342 0.33 471.1001282 0.68 473.1750183 21.30 476.2382507 1.78 481.3141785 8.85 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 190.98 Annotation Unknow Peak:m/z Relative Intensity 105.0512390 0.03 106.9088745 0.06 116.2408905 0.01 116.9152985 0.03 117.8459930 0.02 143.1338043 0.01 145.1866913 0.02 146.9510651 0.01 149.8759613 100.00 154.3409119 0.04 162.0460358 0.05 162.9987030 0.06 167.7753143 0.99 170.0178833 0.55 170.7778931 0.08 172.9918213 0.17 179.5776825 0.03 182.6872101 0.02 190.9103851 0.01 200.0849457 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 498.8756 Annotation Unknow Peak:m/z Relative Intensity 151.7238464 0.34 166.0518799 0.54 170.0189819 0.20 175.1632385 0.05 186.0342712 0.25 187.1159821 0.17 188.9113770 0.30 204.9220123 0.05 213.3206787 0.09 215.9024811 0.04 217.1226959 0.10 233.0948792 0.09 239.3089600 0.39 242.8921661 0.06 249.7229767 0.09 253.0470276 1.56 265.1907043 0.26 274.4980469 0.10 283.2839050 0.34 296.9823303 0.35 301.2306213 0.41 304.2380981 0.20 309.6949768 1.04 310.5635986 0.10 311.5224609 0.12 312.5187988 0.20 313.2935181 0.04 323.1295471 0.58 328.2124329 0.10 332.5542297 0.45 333.8608398 0.05 336.1749268 0.45 341.2203674 0.37 342.4140625 0.95 343.6992798 0.24 346.4703674 1.03 349.1163330 0.30 359.0410156 0.26 362.1784973 0.35 365.0859375 0.59 366.2758484 0.20 367.1934814 0.16 368.6938171 0.12 373.8253784 1.79 375.4056702 1.71 377.2451172 0.21 378.1871338 0.07 379.9621582 0.12 383.7591248 0.45 384.8106384 0.57 385.7135925 0.06 387.8893738 0.10 393.8166809 0.91 402.3733215 4.04 407.4020691 0.31 409.1557922 0.07 411.1863098 0.12 422.6383362 0.08 425.3781433 0.09 427.0555725 0.08 428.4845276 0.34 430.3625793 1.09 432.5616150 0.12 434.1946411 0.09 437.2966614 0.12 438.5278931 0.07 439.4527283 2.83 440.1457214 0.36 443.0684204 0.08 445.2806091 0.22 449.9109802 0.39 452.6179504 0.08 454.3291626 1.15 459.9647522 4.44 463.3832092 3.82 464.1499329 0.13 467.8305054 2.90 469.1668396 4.28 474.7680359 0.48 480.4204712 1.40 481.3183899 3.86 482.2856750 0.52 483.4511108 0.11 487.2654419 2.63 488.3331604 3.91 489.9218140 1.09 490.8677673 0.21 493.0165710 1.23 501.2879333 0.14 504.3082581 0.04 512.4494629 0.34 515.9276733 0.29 523.3264771 0.17 526.9595337 0.10 529.3335571 1.68 532.0961914 0.56 532.9541626 0.15 551.6104736 0.05 561.3789673 2.57 565.0142212 3.25 573.4223633 0.18 588.8527832 0.21 593.6889038 0.16 598.8019409 0.21 600.4343262 0.54 601.8583374 0.46 613.1129761 1.75 614.0344849 0.21 618.3408813 6.09 619.4584351 1.17 621.8539429 16.57 622.5062256 6.28 629.5563354 0.75 635.5061035 0.20 650.4257812 0.22 657.9368286 0.64 670.8125610 0.23 685.6220093 0.07 686.3422852 0.12 692.4044189 4.52 693.2823486 0.18 694.3480225 2.22 695.0399780 3.89 698.5498047 0.13 703.5417480 100.00 704.4589233 0.44 705.4597168 0.24 706.9191284 0.22 709.1513062 0.20 729.1112671 0.52 732.5621338 0.26 739.6887817 0.07 746.3432617 1.36 749.3519897 1.91 766.4624023 0.17 768.5730591 0.16 779.3009644 0.12 786.3545532 0.18 793.4109497 0.09 803.3850708 0.51 811.1908569 0.14 828.4209595 0.20 874.3402710 0.15 877.4851685 1.00 878.5645142 0.34 886.7820435 0.20 924.4880371 0.18 1059.5822750 0.19 1069.7070310 0.04 1088.9166260 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 643.1721 Annotation Unknow Peak:m/z Relative Intensity 209.3049469 0.16 215.0379944 0.08 217.1176147 0.68 258.7506714 0.05 268.0460205 0.07 301.0325928 0.11 302.5161743 0.85 303.1536865 6.92 321.0883179 7.42 339.1958618 0.13 345.0565186 0.86 347.2083740 0.09 377.2918091 0.09 381.1071777 0.25 414.8566284 0.15 423.7172241 0.05 424.7593994 0.07 437.2302856 2.85 447.0201416 0.32 467.2982178 0.18 479.1141968 22.56 479.7640381 0.11 485.2814941 0.66 493.6300659 0.21 495.2520142 0.41 497.2723999 10.23 499.2686768 0.14 505.9133301 0.07 512.7885742 0.04 539.2203979 27.59 545.2850342 0.34 581.2117310 0.35 606.8126221 0.20 625.1912231 100.00 625.8417358 0.13 626.8120728 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 336.8156 Annotation Unknow Peak:m/z Relative Intensity 108.0041046 0.19 117.9746475 1.44 118.9499359 0.41 134.9826965 0.08 136.8858490 0.08 138.6361237 0.24 141.1386261 0.16 151.0511780 0.04 152.9468079 0.29 154.0857544 0.66 159.4191284 0.12 175.4628906 0.04 188.1249390 0.04 193.4765320 0.11 200.1492310 0.09 204.0619202 0.04 212.0242920 0.20 213.1604919 0.06 214.0480042 0.87 226.1643066 0.31 227.0078735 1.04 228.0096741 0.41 235.7124023 0.58 236.7648010 0.23 243.3921814 0.18 256.9265442 0.16 264.0613708 0.33 270.2063293 0.08 275.8228760 0.50 278.2075806 0.11 285.6898193 0.34 288.7964783 8.76 289.7280579 0.93 291.1667175 0.12 292.5389709 0.58 294.7314148 3.11 295.6844788 0.11 297.9738464 11.35 298.7134399 0.81 300.1086426 1.43 301.8232422 1.53 304.1584778 8.69 304.9316406 0.15 305.6926270 0.27 306.6914062 1.52 310.0633545 3.14 311.0429077 0.18 312.3724670 1.63 312.9833984 0.10 313.9147339 0.29 315.7423096 10.28 316.6663208 0.55 319.1712341 0.25 319.8202209 0.16 321.6955872 72.58 322.3668518 11.19 323.2308960 0.92 325.1077271 2.47 327.8291016 4.04 328.5895386 0.34 330.0971680 0.09 331.0060730 7.55 331.7429199 0.66 334.1191101 0.05 335.4697266 0.17 339.2879028 0.07 350.8399353 0.38 369.1794128 0.23 370.8576050 0.29 373.7655029 0.20 375.1979675 0.26 378.7123108 0.23 384.2308350 0.43 388.2107544 0.40 388.8379211 0.11 394.1473389 0.10 397.0882263 5.77 398.0101013 1.61 400.2124939 0.23 401.1824036 0.50 402.0161438 0.73 405.5438538 0.20 409.1562805 0.17 410.6913452 2.07 411.3060913 2.47 412.4617310 0.12 413.2588501 0.32 414.5051270 0.39 418.2482605 0.91 419.3856812 0.31 420.3338928 0.32 422.3465881 0.73 423.7018433 1.85 424.4345093 2.05 425.3453674 0.51 428.4387512 0.12 429.6587524 0.16 432.4509888 24.62 433.4078979 3.75 436.2460022 0.42 437.4429626 2.44 438.3959351 0.50 439.8250427 0.40 441.6174011 0.60 442.4986267 0.21 443.3360901 0.12 444.5052795 0.14 446.4130554 38.32 447.3796082 8.67 451.4335632 1.62 452.3912964 0.21 455.4978333 100.00 456.4595642 9.95 457.5298157 0.29 458.9207153 0.08 460.4743347 6.68 461.4132996 0.87 469.5347595 43.29 470.4092407 5.29 471.2256775 0.86 472.3195496 0.24 473.5639343 0.25 474.2411804 0.50 475.3410339 0.61 476.6007996 0.33 479.3265076 0.05 483.6095581 4.45 484.3884583 0.38 487.9237366 0.07 494.1189575 0.07 496.6322327 0.16 499.0863953 0.05 502.3061218 0.35 517.3828735 0.08 523.2905884 0.03 547.3401489 0.25 606.3654175 0.32 610.3847046 0.08 635.4459229 0.22 636.2114868 0.31 637.3848267 0.18 642.6488037 0.36 663.4321899 0.05 667.4747314 0.19 744.3052368 0.18 754.2333984 0.23 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 437.1218 Annotation (+)-Cystothiazole B Peak:m/z Relative Intensity 157.3143616 0.06 172.9761810 0.03 177.1165771 0.07 180.2271423 0.04 193.9526062 0.09 213.0224457 0.03 219.3976746 0.02 224.0749512 0.06 224.7882843 0.03 241.1154785 0.85 242.0973816 0.94 242.9975891 0.26 249.0900879 0.44 255.2803040 0.04 259.1296387 0.24 260.1926880 0.10 261.0649109 0.07 267.9465332 0.32 272.9197998 0.04 274.3778381 0.13 275.2285156 0.10 281.4471436 0.04 285.1217651 0.07 287.0910034 0.04 293.2399292 0.10 298.1355286 0.10 300.2848816 0.06 305.1610107 0.15 315.1904907 0.21 316.1145630 0.43 317.3495178 0.27 329.1559448 0.10 332.9193726 0.08 339.5951538 0.04 341.2843933 0.20 343.2591858 0.20 349.3845215 0.03 355.2037659 0.40 356.2536926 0.15 368.2781677 0.04 376.3085938 0.05 383.4497681 0.06 389.1108704 0.18 390.2718201 0.14 391.4468689 0.32 392.2701721 0.46 393.4365540 0.02 401.2077332 100.00 401.8614197 0.64 404.2861023 0.20 405.6869202 0.22 417.9967346 0.23 419.3442078 0.44 420.2112732 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 570.71 Annotation Unknow Peak:m/z Relative Intensity 247.9540863 0.11 264.8111267 0.30 269.3654480 0.16 296.0910339 0.15 306.2253418 0.49 318.8384399 0.22 319.9750977 0.15 349.9231567 0.09 391.0285645 0.16 407.0901489 0.45 409.2882690 1.47 410.6171265 0.27 413.9218140 0.18 423.3577881 0.59 424.8726807 0.39 436.7293701 0.18 439.8581543 0.13 448.7840576 0.31 451.4089355 0.52 452.5939941 0.55 453.7635498 0.32 464.1243896 0.41 467.8678589 0.45 468.8636475 0.65 478.1372681 0.43 479.9375000 2.76 480.7691040 49.04 481.7281494 0.95 489.3388672 0.07 489.9584961 0.37 495.5510864 3.56 496.8024902 100.00 497.9085083 0.76 502.4678345 0.40 506.9484253 0.26 508.8331299 0.24 509.8031616 1.12 511.6438599 0.22 512.4931641 0.27 513.7963257 2.69 514.8104858 0.08 520.8826294 0.17 522.7066040 0.90 523.8938599 0.27 524.7367554 0.40 525.9451294 1.96 527.1476440 0.49 527.8073120 0.37 528.7987671 0.24 529.7910156 0.58 532.1282349 0.10 533.4845581 4.49 534.2141724 2.94 535.1863403 0.81 538.8827515 0.25 539.8599243 1.11 541.3129272 1.06 542.0431519 0.24 543.4183350 2.39 545.4791260 0.10 547.3626099 1.57 549.5585938 5.12 550.2564697 3.58 550.9939575 3.14 552.6510620 2.56 553.2719116 0.27 554.9453735 1.55 555.9916382 4.39 556.5999146 5.49 557.2872925 3.41 558.5971680 1.71 560.6201782 0.90 561.4232788 1.62 565.0158691 0.36 565.9707031 0.38 570.3968506 0.89 571.4432373 1.10 572.3850708 0.32 576.5245972 0.89 579.6943970 0.34 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 347.0981 Annotation Stilbericoside Peak:m/z Relative Intensity 100.5747757 0.19 139.0898285 0.97 147.2778168 0.09 148.9832153 0.15 152.9918518 0.13 159.2161865 0.09 160.9581604 1.38 174.9980469 0.15 178.2209015 0.12 178.8610840 0.08 191.0117798 0.15 207.1664734 0.20 223.2879333 0.36 230.3577881 0.09 231.3697510 0.05 248.9296265 0.35 254.7597961 0.07 261.2143250 0.21 275.4517517 0.18 284.3455811 0.26 285.0053711 0.07 287.1492310 0.18 299.0920105 0.06 301.1110840 100.00 303.0424194 0.78 304.1679993 0.24 305.2972717 0.14 310.7628174 0.04 318.4184570 0.09 319.4503174 0.18 328.6381836 0.06 329.2907715 0.30 332.0866699 0.44 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 931.4547 Annotation Scopoloside I Peak:m/z Relative Intensity 269.1055298 0.18 286.9147339 0.33 301.1970215 0.07 327.8532104 0.25 329.1322021 1.43 330.1915283 0.39 337.2993164 0.15 344.1597900 0.60 345.2551270 1.47 369.1738281 0.50 381.1550293 1.14 387.3171997 0.63 395.5888672 0.75 409.5917358 0.14 413.4739380 2.27 415.1835938 0.43 431.0981445 1.28 431.7772827 0.53 437.1811523 0.19 447.1521606 0.40 459.3110352 0.35 501.1177368 0.20 526.4769287 0.10 533.3666992 0.08 557.2904663 0.29 558.0239258 0.14 563.0548096 0.54 571.6219482 0.25 574.5066528 1.17 575.4595337 8.29 581.0839233 0.80 587.5588989 0.16 590.4252319 0.17 591.3954468 0.46 592.5215454 1.31 593.5333862 4.74 601.5294800 0.52 615.2739868 0.82 633.0604248 0.92 636.5685425 0.18 641.4782104 0.30 651.3713989 0.24 658.3773804 0.38 661.5808716 0.18 668.8173218 0.20 671.3232422 0.32 671.9259644 0.44 683.1981201 0.32 686.4065552 0.38 689.4335938 3.14 701.4924927 0.70 707.7855225 0.14 716.1782227 0.76 734.6514282 0.66 735.4203491 0.34 736.5831909 1.21 737.4539795 2.46 742.1464844 0.65 749.1749878 0.51 751.7183838 0.18 753.3035889 0.16 754.5878296 1.00 755.5283813 16.09 765.4613647 0.14 768.2194214 1.05 769.6621094 0.65 781.2628784 0.22 783.3488770 36.78 784.5511475 0.23 794.2617798 0.42 795.4633789 2.02 797.6364746 0.18 799.3335571 1.43 802.6380005 0.69 805.7617798 0.48 813.4834595 2.62 815.6407471 1.41 823.6889038 0.12 825.6886597 3.73 829.5472412 0.30 833.2517700 0.60 836.2120361 0.17 843.6301270 0.11 844.7037964 0.32 851.6890259 7.88 864.4826050 0.17 869.4429321 8.53 870.2246704 0.94 871.5458374 4.11 885.4423828 0.16 886.5092773 0.73 887.6279907 2.23 895.4097290 4.84 898.2993774 0.61 899.4746704 0.52 913.3561401 100.00 914.1074219 2.02 915.6561890 0.86 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 699.2716 Annotation Unknow Peak:m/z Relative Intensity 206.8650208 0.40 209.2660065 0.35 223.3304901 0.06 225.1414490 0.03 233.2683716 0.18 249.1701050 1.67 250.0143433 0.06 251.3709412 0.36 267.1671753 3.66 269.1833496 1.85 285.1132812 0.03 291.1237183 0.08 309.1243286 4.81 309.7908936 0.09 323.1420898 0.17 325.0621948 0.60 325.7099609 0.19 327.1293640 0.19 343.0555420 1.17 357.0216675 0.10 361.1777954 0.04 367.4497070 0.03 369.2021484 0.05 370.3478394 0.04 371.3196411 0.03 389.4993896 0.08 395.3713989 0.06 439.3340454 0.75 449.3945923 0.64 450.4774170 0.05 457.3093872 1.24 459.3024292 0.09 460.2828979 0.16 475.2632446 0.32 477.3280640 0.06 483.3390503 0.74 501.2965088 18.20 503.0691528 0.07 505.5398560 0.18 517.2601929 0.10 519.3024292 100.00 519.9242554 0.23 522.0182495 0.07 523.3898315 1.45 533.3476562 0.05 534.4261475 0.16 535.5696411 0.05 537.3823853 2.53 561.3865967 0.13 577.3529663 0.03 579.3378906 0.08 583.5874023 0.03 584.3228149 0.02 591.3739014 0.03 594.3946533 0.16 611.5209961 0.11 618.8834229 0.10 637.3523560 0.21 639.3134155 0.15 651.2710571 0.23 653.9450073 0.03 655.4014893 0.24 663.1328125 0.39 667.3563843 0.06 676.1287231 0.04 681.3964233 9.95 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 379.0338 Annotation Unknow Peak:m/z Relative Intensity 111.0198746 0.04 127.8362122 0.08 136.9066772 0.86 138.9384155 2.19 140.9286804 0.05 151.0126801 0.36 165.0112000 0.48 166.7023468 0.22 168.0684814 0.20 169.1262054 0.17 179.0965271 0.06 197.1356812 0.07 201.2098389 0.08 208.5145874 0.13 209.1784363 0.31 211.9834595 0.07 213.0521545 0.03 215.9147339 0.09 216.9428711 0.29 221.2822266 0.07 223.0345154 1.55 226.1765442 0.09 231.0030518 0.09 241.0005188 100.00 241.9461365 0.26 245.1900635 0.08 249.0884399 0.36 260.7591553 0.13 274.9355164 0.09 281.1697083 0.26 288.4594727 0.14 289.4346313 0.19 294.9856567 0.07 299.2402344 0.76 306.2163086 0.10 307.1497803 0.42 308.3303223 0.19 315.3999329 0.08 316.8768311 0.16 332.3351135 0.20 333.8418579 0.14 335.2066650 1.58 337.4151001 0.10 341.2295837 5.38 342.1184692 1.36 343.3713989 0.27 347.2088623 0.08 351.6702881 0.09 359.1826477 0.19 360.1658630 0.39 361.1417236 0.95 362.1831970 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 655.1985 Annotation Unknow Peak:m/z Relative Intensity 218.2794800 0.05 229.2682343 0.04 248.9859924 0.03 266.9747314 0.06 299.0675659 0.01 301.2060547 0.01 309.2424316 0.05 310.9201660 0.08 315.2601624 0.03 323.2174072 0.09 325.7681885 0.06 330.0883179 0.08 331.3414307 0.14 333.3043823 0.01 334.2067871 0.04 335.2189026 0.10 336.2312622 0.05 342.2374878 0.07 343.1929321 0.05 346.1339111 0.01 349.5032959 0.02 353.3325806 0.06 355.0294800 0.07 357.6702271 0.02 358.4176025 0.02 372.1403198 0.05 373.1995850 0.05 389.1710205 0.06 400.2310791 0.02 401.2957153 0.03 403.8168335 0.01 414.9832153 0.04 420.1932983 0.03 427.4333496 0.01 432.1009521 0.13 455.3952026 0.05 459.2197266 0.06 460.2777710 0.01 462.3420410 0.06 465.3734131 0.04 468.4017334 0.02 474.3801270 0.06 475.2359619 0.05 479.2768555 0.02 481.1407471 0.02 483.5579834 0.03 487.2207031 0.09 489.3297119 0.03 491.1895142 0.10 492.0090942 0.12 493.2250366 0.63 497.4609375 0.03 506.2584229 0.16 507.6343994 0.12 509.1410522 0.04 510.4880371 0.02 515.2835083 0.16 516.2391357 0.13 519.0395508 0.02 533.2295532 0.07 534.1492310 0.01 535.3101807 0.02 537.3576660 0.07 539.5162964 0.04 557.3611450 0.02 561.2776489 0.09 565.3469849 0.13 567.3759155 0.17 569.5568848 0.07 570.7418823 0.03 575.3510742 0.05 576.3425293 0.02 579.1853027 0.06 582.2905273 0.02 587.2005005 0.06 588.2672119 0.03 590.9786377 0.03 593.4981079 0.37 594.2322998 0.10 604.2293091 0.05 605.2289429 4.46 605.8411255 0.03 607.6293335 0.05 609.3496704 0.16 611.4501343 0.41 612.5812378 0.39 614.3229980 0.03 618.2581177 0.02 619.2072754 0.07 620.4723511 0.04 621.2977905 0.07 623.3198242 100.00 624.5902710 0.25 625.5759888 0.09 636.4175415 2.13 637.2892456 6.16 638.1470947 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 814.3561 Annotation Unknow Peak:m/z Relative Intensity 245.3090515 0.05 248.1556702 0.15 264.1398315 0.28 265.4125366 0.06 274.1773682 0.52 275.7743530 0.11 279.1022339 0.55 281.5631714 0.15 289.1508789 0.38 290.2975159 1.08 295.3239136 0.16 305.2956238 0.17 307.2592773 0.30 312.1790161 0.14 313.1707764 0.07 316.1852112 0.57 318.3610229 0.53 323.4695740 0.30 339.5260620 0.04 340.4193726 0.12 355.4631348 0.24 356.4064636 0.23 357.2280273 0.56 381.1176758 0.07 382.4419556 0.37 398.4287109 3.55 399.2640991 9.56 400.2752686 0.80 401.3296509 0.21 404.0144653 0.08 425.2610474 0.57 429.9747314 0.17 442.4299316 10.49 448.4078369 0.48 472.2913818 0.13 473.0220337 0.21 473.7238159 0.12 486.2354126 0.75 490.2250977 4.52 492.3961182 0.08 534.2000732 100.00 534.8503418 0.39 578.2861938 0.13 582.0919800 0.12 624.2224731 0.19 642.1313477 0.20 733.9567261 0.24 772.3512573 0.06 782.4661255 0.14 795.5895386 0.10 796.3596802 0.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1419.2828 Annotation Fucophlorethol-B octa-acetate Peak:m/z Relative Intensity 393.1841736 0.03 399.2372131 0.06 410.0279236 0.06 411.0133057 0.02 421.2538757 0.06 425.0909729 0.14 427.0491028 0.06 438.1528931 0.03 441.2160950 0.04 453.2318115 0.33 486.1582642 0.08 486.9215393 0.14 500.2236328 0.10 515.1409302 13.94 515.7600098 0.06 709.0154419 100.00 709.7716064 0.31 1060.6702880 0.24 1387.1918950 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 831.1984 Annotation Quercetin 3-(6'''-sinapylglucosyl)(1->2)-galactoside Peak:m/z Relative Intensity 230.1167450 0.01 243.1166840 0.02 255.1477356 0.19 270.0596619 0.04 271.1860657 0.04 287.1834106 0.08 288.1362305 0.03 302.1474915 0.07 302.9249573 0.08 313.1798096 0.02 316.0458374 0.75 316.7575073 0.15 317.3600769 0.08 323.2013855 0.15 331.1030273 5.30 332.2284241 1.02 345.5096130 0.13 373.0469971 0.04 373.7130737 0.01 383.3712769 0.22 384.3348083 0.04 397.5096436 0.01 401.3076172 0.03 427.1481323 0.03 444.3850098 0.02 485.2686768 2.26 486.2697144 0.29 493.1884155 0.05 499.5167236 0.12 500.4015503 0.12 507.2876587 0.04 583.4983521 0.02 622.1552734 0.08 637.2023315 5.52 638.3750000 1.65 640.0932617 0.03 655.2198486 100.00 656.2383423 26.78 657.2053833 0.02 669.3230591 1.36 670.3886108 0.30 689.3703003 0.02 769.0145264 0.05 770.3003540 0.03 787.5448608 0.06 797.3076782 0.02 813.4329834 0.08 814.2450562 0.02 816.0919800 0.07 817.3499756 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 581.2526 Annotation Unknow Peak:m/z Relative Intensity 162.9716492 0.11 164.8262482 0.09 205.0903625 3.48 206.0949097 0.29 245.4645386 0.16 246.8185577 4.44 264.7797241 0.11 265.4795227 0.19 290.2836304 1.93 290.9284668 6.76 291.9216309 0.14 307.9507446 0.24 308.9958496 6.73 311.0622559 0.12 347.5331421 0.05 373.3036499 0.24 388.4480591 0.15 401.4605713 0.23 419.0192871 0.14 419.6217041 0.24 431.3165283 0.15 440.6297607 0.20 449.4069824 0.09 460.4450073 0.24 493.2815552 0.09 501.3707886 0.08 503.4534912 0.16 506.1556396 0.31 511.2599487 0.09 520.3491211 0.13 535.2582397 2.59 537.0385132 0.35 549.2008667 0.21 553.6447754 0.23 558.0958862 3.39 559.3371582 0.29 560.1133423 0.19 561.0161743 0.17 563.2924194 1.41 564.4594116 0.86 675.8873291 0.09 805.7048950 0.40 807.4271240 100.00 808.4967651 12.94 927.3715210 0.60 1117.4309080 6.74 1118.4119870 0.81 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 537.3071 Annotation FR 235222 Peak:m/z Relative Intensity 153.2150574 0.03 171.1813049 0.27 231.3861694 0.02 277.3341675 0.04 319.2120972 0.09 340.4808350 0.04 360.2183838 0.04 361.3433838 0.28 373.3679199 0.07 375.4355469 0.03 391.4273682 0.90 405.3578491 0.03 412.3626709 0.04 458.6181030 0.08 460.2683716 0.05 461.1160278 0.14 469.6094971 0.02 473.5629272 0.47 477.2650757 0.01 491.3179321 100.00 491.9330444 0.29 493.0737915 0.08 504.2851562 0.64 505.3081665 0.60 507.0872192 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 930.9138 Annotation Unknow Peak:m/z Relative Intensity 282.5045776 0.50 298.2982178 1.03 328.2339478 0.31 350.9511108 0.37 356.4115295 1.10 393.3939209 0.33 401.3079529 0.74 402.3039551 0.39 403.3319092 0.30 406.5303955 1.56 420.4788208 2.78 423.2207031 1.30 426.9335327 2.06 432.4338379 1.65 442.2482300 0.52 454.4658203 1.49 455.4172363 1.34 456.0228882 1.14 467.3411255 0.36 470.4919434 0.77 486.0949097 2.27 497.9611816 0.20 501.3381958 0.64 503.7612915 2.72 505.3005981 0.96 505.9617310 0.61 509.9224854 3.29 512.7429199 1.42 519.1922607 14.32 528.2841187 0.61 534.7571411 1.07 538.3717041 0.15 539.1024780 0.84 540.1417847 0.50 551.0769653 3.43 551.8226929 1.80 553.9078369 2.39 554.5323486 4.65 555.2940063 1.91 560.0726318 0.62 568.5488892 4.11 573.0865479 3.61 577.0482788 2.44 582.3638306 0.54 583.5952759 0.24 587.4710693 0.59 601.3350830 1.32 602.9374390 0.74 609.4028320 0.79 611.8348389 0.72 614.4417114 0.45 615.2148438 1.22 620.6547241 4.28 626.3437500 9.40 627.4536133 0.73 628.1111450 0.50 632.6922607 2.49 637.1537476 0.37 640.9039917 0.81 651.9219360 4.10 656.0568848 1.22 669.7252808 0.84 674.2225952 1.29 676.5521851 1.80 678.4853516 0.53 683.9734497 0.47 685.1147461 0.29 690.4777832 1.09 697.0392456 0.98 698.3080444 1.33 704.6567993 2.12 709.2542114 0.55 710.7677002 1.75 711.8703003 0.27 720.2928467 0.94 725.4925537 0.98 733.5446167 1.11 735.0175171 1.51 751.0110474 1.65 755.2795410 1.22 759.0664673 0.57 768.6015625 11.51 769.3641357 3.63 770.0269165 1.07 772.2761841 0.31 773.8245239 0.40 775.9882202 0.97 779.5527954 0.43 781.3890991 0.54 787.5446777 0.67 788.4313354 1.02 805.5811768 0.35 809.6876831 1.08 811.6688843 1.83 812.5383301 1.33 818.0020142 0.99 821.5093384 0.63 822.8667603 1.21 824.5586548 0.54 826.0103149 9.41 826.7534180 8.82 827.8632202 1.79 837.6057129 0.93 838.4989624 0.71 839.5664062 1.06 841.6748047 2.10 848.8913574 2.60 862.1550903 1.70 865.6495361 2.41 867.0015869 3.40 870.4030762 2.91 873.1165161 1.39 874.9848022 5.30 877.8722534 1.17 881.6862183 1.49 883.7714844 0.21 885.0792847 3.11 886.5894165 11.32 887.8762207 1.59 891.2808228 3.74 892.4097290 10.26 894.6996460 1.00 895.8550415 4.46 902.6420898 0.86 903.3737183 0.30 904.8747559 20.71 906.2870483 3.00 907.1614380 6.45 907.7820435 50.63 908.6592407 8.38 909.3692627 11.47 910.8771973 2.79 912.2919922 58.51 913.2401733 10.56 914.0601807 1.17 915.8672485 4.01 918.4631958 2.15 922.4371948 1.54 923.0407104 0.43 923.7207642 0.19 936.4277344 0.21 937.7171021 1.14 938.5130005 0.32 939.4664917 0.21 940.9875488 0.43 949.6274414 0.43 956.3405762 0.12 958.2280273 0.64 961.4959106 0.99 966.8742065 1.17 967.5532227 0.44 970.3574829 0.15 977.1448364 11.93 978.0251465 4.75 979.8987427 0.74 982.0289917 0.79 983.8751831 8.45 984.9959106 2.97 986.1291504 0.84 988.9573364 0.99 999.5935059 0.15 1003.4038090 0.82 1008.9703980 0.49 1010.0228880 2.26 1014.2542110 0.18 1020.8896480 3.74 1023.4415890 2.25 1025.0129390 2.09 1030.1784670 0.21 1035.1501460 0.40 1036.8023680 13.06 1037.8640140 9.36 1038.5146480 0.25 1039.8133540 3.36 1043.9340820 6.60 1044.6009520 2.07 1046.5906980 8.00 1047.6196290 3.86 1049.4035640 7.80 1051.3198240 6.35 1052.4921880 5.16 1054.7164310 30.22 1055.4230960 28.38 1057.0391850 3.11 1058.3952640 0.79 1059.9505620 0.75 1062.9938960 2.25 1064.6289060 2.98 1065.6942140 8.97 1067.5194090 7.52 1068.7766110 15.38 1069.6306150 4.43 1070.6264650 7.44 1071.6430660 2.01 1072.3942870 2.51 1073.3842770 1.44 1074.6301270 14.01 1075.3234860 6.49 1078.1439210 1.04 1079.5810550 9.63 1080.1968990 11.56 1080.8160400 1.65 1082.2766110 2.71 1083.2644040 1.51 1084.1077880 99.87 1085.4367680 17.06 1086.2845460 0.76 1087.3334960 3.85 1088.6822510 20.16 1089.5803220 5.74 1090.7896730 29.32 1091.8403320 5.16 1094.3458250 100.00 1095.0073240 70.55 1095.7299800 3.76 1096.8636470 4.40 1098.0867920 12.41 1099.0900880 1.30 1099.8757320 1.53 1101.9519040 22.65 1102.8178710 5.15 1104.8215330 4.79 1108.7080080 56.21 1109.6228030 4.74 1110.6646730 0.24 1111.7590330 1.12 1113.9956050 0.22 1122.8120120 2.91 1123.5688480 1.01 1133.0876460 1.90 1135.7187500 0.20 1136.4588620 1.54 1151.6748050 0.35 1158.7958980 1.65 1160.8281250 1.51 1162.5937500 2.20 1165.7041020 1.68 1167.3155520 0.73 1185.0698240 1.37 1185.7966310 1.53 1187.2548830 3.02 1189.6032710 1.88 1194.7331540 0.54 1197.8746340 1.51 1198.5562740 5.70 1201.5886230 1.12 1209.6677250 0.30 1221.2835690 1.82 1223.8707280 1.17 1227.5566410 3.28 1230.0153810 2.48 1231.6831050 0.93 1233.8000490 3.33 1236.3094480 12.51 1237.0300290 2.14 1241.8416750 50.19 1242.7573240 22.67 1243.5981450 2.50 1246.2800290 1.12 1250.3298340 1.46 1251.8666990 0.26 1254.6977540 1.04 1257.9050290 1.68 1259.4548340 4.00 1261.0939940 3.53 1262.7934570 3.84 1265.6400150 15.47 1266.6208500 1.81 1267.4116210 1.26 1271.7208250 2.19 1273.5144040 1.30 1275.2440190 2.80 1278.9425050 1.70 1281.9742430 3.43 1284.7138670 0.76 1286.3055420 1.00 1286.9804690 0.62 1289.2425540 1.10 1289.9057620 2.43 1293.5128170 8.05 1294.3104250 3.19 1297.2259520 0.71 1298.1335450 2.02 1300.5211180 7.83 1301.4885250 1.91 1302.8470460 0.90 1304.3140870 0.96 1305.8511960 4.24 1306.7595210 12.34 1311.6341550 94.67 1312.5264890 10.48 1313.7456050 1.97 1318.2709960 32.42 1319.1130370 4.14 1319.9090580 0.78 1322.2017820 0.55 1328.2335210 2.55 1329.7139890 4.47 1335.5640870 2.41 1337.5301510 0.30 1343.0264890 4.01 1343.6331790 1.20 1349.2117920 0.42 1352.5632320 1.16 1355.5471190 0.46 1366.8115230 1.30 1370.3394780 0.45 1379.1409910 1.33 1394.6884770 4.13 1398.1619870 0.65 1407.7996830 0.37 1439.3692630 1.73 1441.2825930 1.26 1444.6561280 16.96 1445.5999760 8.32 1451.3228760 0.16 1459.4270020 0.93 1462.7089840 3.83 1463.8374020 3.99 1465.1568600 1.05 1467.1198730 1.84 1468.9168700 4.38 1472.1419680 8.38 1473.1690670 1.46 1477.8258060 16.04 1478.6353760 20.87 1479.7512210 7.56 1481.0474850 0.28 1489.2452390 1.51 1491.0333250 0.86 1499.6209720 1.18 1500.5112300 1.28 1513.1713870 2.81 1519.7220460 0.64 1521.4110110 1.35 1528.8277590 1.25 1535.6812740 0.48 1536.3485110 0.88 1537.2396240 3.69 1538.2656250 1.23 1546.7633060 1.03 1555.8359380 5.53 1556.8762210 2.82 1564.0443120 1.80 1565.4392090 0.92 1566.1182860 0.70 1572.8851320 0.88 1603.9650880 0.42 1620.9022220 0.93 1642.6179200 0.16 1671.7086180 0.90 1677.9035640 0.75 1679.3607180 0.47 1684.1517330 1.66 1690.8151860 0.95 1722.7999270 0.96 1739.5948490 0.80 1785.8428960 0.93 1788.8200680 1.24 1797.3947750 0.78 1812.3289790 0.46 1856.2547610 0.85 1862.8868410 1.26 1863.8031010 1.09 1897.5515140 1.23 1898.2882080 0.92 1914.5015870 0.63 1925.4649660 0.31 1946.0611570 1.27 1965.7161870 0.99 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 655.3695 Annotation Russelioside A Peak:m/z Relative Intensity 316.1870728 0.02 331.2838135 0.09 345.2755127 0.02 429.6107788 0.02 447.3764038 0.12 450.6078491 0.06 465.6237183 0.15 475.4642334 0.06 493.3137817 0.34 494.4161377 0.01 521.1249390 0.10 533.2551270 0.03 549.6299438 0.02 558.5110474 0.05 579.3333130 0.05 591.5068359 0.28 595.6192627 0.05 609.4259644 100.00 610.0892334 0.09 611.4761963 0.06 632.2163696 0.03 637.4824219 0.07 654.8457031 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 744.3937 Annotation Unknow Peak:m/z Relative Intensity 228.3279724 0.11 231.1227722 0.30 250.1562958 0.11 274.4537354 0.08 276.1244812 0.27 283.4767456 0.05 286.2426147 0.10 288.4697266 0.07 305.3244629 0.17 307.3008118 0.25 312.1683350 0.23 313.5372925 0.31 314.4635620 0.20 334.0892944 0.38 345.1561279 0.10 353.6213379 0.08 370.3041382 0.17 372.2575073 0.36 387.9893188 0.24 411.3535156 0.20 415.0663452 0.17 420.4383545 0.15 422.1035767 0.08 455.5775757 0.20 461.6085205 0.14 464.1949463 0.16 469.1511841 0.30 486.5878906 0.15 487.2778320 0.36 489.2209473 0.15 490.5881958 0.32 505.7355957 0.09 509.5043335 0.40 512.2656860 0.31 520.4947510 0.22 531.4569702 0.21 536.5065308 0.13 542.1985474 0.14 543.0408936 0.13 545.1900635 0.06 554.0650024 0.07 563.9006958 0.60 564.5104370 10.53 582.4662476 100.00 596.5836792 0.28 623.5650024 0.17 625.5625610 0.63 628.4946899 0.48 629.6793213 0.66 631.4444580 0.33 641.6564941 0.06 658.1390991 0.46 667.0868530 0.31 676.8754272 0.18 683.2763062 0.16 685.5035400 0.18 690.6161499 0.12 699.9643555 0.22 701.6580811 0.09 707.3303223 0.15 708.5501099 0.71 724.8530884 0.79 725.7225952 0.54 726.4590454 1.63 727.4905396 0.51 729.4982300 0.21 744.0060425 0.18 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 677.27 Annotation Deutziol Peak:m/z Relative Intensity 193.0366211 6.24 217.1979523 0.17 235.1812286 11.37 245.3164062 0.17 264.8687134 0.24 275.2373047 0.99 286.0242004 0.19 293.1335754 0.19 304.0969849 0.87 312.8885498 0.38 323.2477112 0.31 324.4555054 0.14 361.5447998 0.83 373.2380981 0.16 391.3547363 0.79 392.4853516 0.16 427.2542725 0.21 451.3589478 0.85 459.5994873 0.32 460.2061157 0.07 461.4072266 0.41 462.4934692 0.09 469.1943359 100.00 479.0586548 1.07 487.2246094 49.32 495.3666992 0.11 497.3334961 0.90 501.3651123 0.65 503.0588989 0.23 518.0700684 0.29 554.3908691 0.07 584.1876831 0.14 589.7350464 0.22 596.5665894 0.19 599.3612671 0.14 612.3500366 0.26 615.0077515 0.12 616.6172485 0.16 617.6232300 0.13 621.3419189 0.08 623.5093384 0.95 631.3150024 0.08 632.3696289 0.57 633.5160522 0.36 639.3433228 3.78 640.4448853 5.07 641.4008179 29.51 642.0187378 0.16 646.5338135 0.39 659.3348999 1.40 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1219.5397 Annotation Unknow Peak:m/z Relative Intensity 409.5485535 0.32 439.3012695 0.81 440.3087769 0.51 455.3939819 0.51 471.3668823 0.62 483.4458923 0.74 497.5290222 0.26 501.3955688 4.61 502.4139404 1.07 513.6553345 0.24 539.5750732 0.60 567.4609375 0.24 573.7198486 0.61 585.3852539 0.39 586.5170898 0.08 616.7520142 0.06 735.6893311 0.08 761.3413696 0.11 780.7803955 0.20 785.5944824 0.12 809.3690796 3.01 810.7543945 0.43 911.5201416 100.00 912.5179443 40.73 913.5189209 1.07 923.4724121 0.30 996.7576904 0.12 1043.7739260 0.90 1057.4062500 0.21 1069.2321780 0.19 1087.6853030 0.57 1088.5043950 0.67 1089.3872070 2.70 1090.0881350 0.41 1090.8288570 0.19 1115.8046880 0.12 1157.6123050 0.66 1176.6210940 0.19 1201.4594730 1.63 1202.6840820 0.76 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 216.94 Annotation Unknow Peak:m/z Relative Intensity 88.8508148 33.77 89.5119476 0.25 95.0441742 0.11 118.9928741 0.21 126.9187927 59.73 131.9478760 0.18 141.7666779 0.19 142.6196747 0.31 144.6876831 100.00 145.3412323 0.33 148.8830414 0.19 150.0423431 0.18 155.8352814 0.17 169.0315704 0.10 172.1325836 0.14 172.9583282 0.29 178.8333893 2.48 180.3511505 0.12 181.0357208 0.27 188.9252472 45.40 198.8791962 0.22 200.2215424 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 587.91 Annotation Unknow Peak:m/z Relative Intensity 200.8095703 0.08 244.9252167 0.11 262.9216919 0.22 272.9248962 2.58 274.0762329 0.16 356.9592896 0.10 386.6528320 0.11 389.1484985 0.24 427.0225220 2.56 428.0502930 2.00 429.1736450 0.12 430.1021118 0.27 430.8534546 0.10 432.4055786 0.37 433.0274658 0.12 455.0534058 0.12 455.8211670 0.39 461.9495850 0.16 462.8392334 0.16 472.6043701 2.02 473.2702637 2.12 474.0590820 0.98 475.8449707 0.13 482.9308472 0.30 501.7302856 0.16 510.1936035 0.12 515.1899414 0.11 540.8783569 100.00 541.9270630 60.24 542.8956909 0.41 543.9990845 0.62 569.3517456 0.14 570.4694214 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 591.2299 Annotation Ligurobustoside M Peak:m/z Relative Intensity 178.9040375 0.33 185.1993713 0.38 187.0273438 0.57 201.2672119 0.17 205.2036743 3.93 217.4830170 0.10 219.2753448 0.08 227.5470276 0.03 229.0928650 1.46 231.1970215 0.06 239.1600494 0.07 241.1850281 0.23 245.4232178 0.08 247.2295837 0.33 249.1915588 26.12 259.2614136 0.26 267.2632141 0.18 271.1030884 0.23 277.0699158 0.11 287.1751099 0.04 291.2592773 1.28 303.2130737 0.04 313.2952881 0.15 317.0279541 0.08 321.0930176 0.26 329.1539307 0.04 348.1259766 0.05 349.0380859 0.05 351.0473022 0.67 357.1029663 0.15 368.9318848 0.05 381.2103271 0.03 385.2131348 2.10 385.8385010 0.02 392.8666382 0.17 411.2288818 18.34 421.5783691 0.04 429.2035522 100.00 429.8419189 0.19 471.2199097 1.18 483.7246094 0.08 493.2268066 0.09 495.4436646 0.04 501.2620239 4.23 515.5231323 0.04 516.3022461 0.04 519.3635864 0.07 531.2223511 8.52 531.8499146 0.11 545.2628784 0.11 547.1828003 0.17 561.2072144 0.73 573.1781006 0.95 604.8212280 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1107.4865 Annotation Unknow Peak:m/z Relative Intensity 575.6988525 0.24 751.6016846 0.18 755.7791748 0.13 769.5764160 0.28 770.5150757 0.16 783.5343018 0.01 852.7031250 0.02 854.3236084 0.02 869.7142334 0.02 870.3361816 0.02 895.5356445 0.05 896.5024414 0.04 913.5646973 4.04 914.5347900 3.58 915.2635498 0.01 931.5507812 100.00 932.5533447 50.38 933.2888184 0.11 973.4603271 0.17 1010.7199710 0.02 1027.5588380 0.34 1028.6235350 0.20 1031.6893310 0.02 1042.6512450 0.01 1043.7192380 0.02 1045.5478520 1.82 1046.5516360 1.18 1047.6882320 0.05 1063.8793950 0.05 1071.4943850 0.12 1072.6422120 0.13 1089.5364990 7.73 1090.6093750 4.77 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 815.2043 Annotation Alatanin C Peak:m/z Relative Intensity 230.0183716 0.08 231.2228546 0.05 234.9507141 0.04 237.1925049 0.07 241.1427002 0.10 243.1668396 0.29 244.3137817 0.06 247.2081909 0.08 247.9882965 0.04 257.9736328 0.19 259.0825806 0.50 269.1170959 0.17 270.0084229 0.02 271.8515625 0.08 273.1315613 0.15 284.9391174 0.04 286.2176208 1.11 287.1250916 4.38 288.1682434 0.25 301.1631470 0.77 302.1394043 1.65 303.2276611 0.08 307.2114868 0.27 314.4515991 0.04 315.0594177 0.88 316.0456543 0.08 323.2034912 0.16 325.2921753 0.08 328.9338074 0.04 330.1433716 5.44 331.1771240 2.02 332.2022705 0.06 343.1770630 0.02 345.1273804 35.00 346.1186218 4.96 359.3854675 0.06 367.2541504 2.17 368.2193604 0.41 373.1973267 0.10 374.3608093 0.09 385.7052002 0.04 387.3538208 0.05 391.0228882 0.04 397.1937866 0.19 398.1485596 0.03 409.3300781 0.21 410.1729736 0.04 411.4091187 0.06 443.1622925 0.14 451.3156738 0.04 452.1631470 0.10 469.2277222 20.81 470.2751465 3.69 492.1751099 0.06 507.3016357 0.05 508.2340698 0.03 573.1773071 0.05 585.2843628 0.08 586.2911377 0.03 595.3685913 0.05 635.5651245 0.13 637.2584229 1.23 638.3704224 0.09 639.3501587 0.36 640.0741577 0.17 651.3475342 7.36 652.3129272 2.34 655.5372314 0.21 669.1929932 100.00 670.2261353 27.79 670.9880371 0.06 693.0659790 0.04 707.4506836 0.06 714.4089966 0.03 715.2626343 0.04 735.7236938 0.08 740.4107056 0.02 753.4233398 0.15 755.4767456 0.06 765.1948242 0.05 769.3113403 0.09 779.1898193 0.23 780.4254761 0.15 783.2883301 0.11 783.9967041 0.03 786.3870850 0.04 787.4212646 0.11 797.3748169 0.13 798.4541626 0.06 800.0922241 0.27 801.3864136 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 977.2554 Annotation Kaempferol 3-O-sinapoyl-sophoroside 7-O-glucoside Peak:m/z Relative Intensity 272.9967041 0.08 285.7716675 0.07 287.0097351 0.21 288.3372498 0.12 295.1923523 0.28 299.3554382 0.06 301.0475769 0.09 302.2426453 0.28 311.0972595 0.02 313.7673645 0.09 314.4956360 0.03 315.4084473 0.08 316.0171509 0.05 317.2406006 0.53 318.0077209 0.10 323.3607483 0.02 326.3722839 0.03 326.9833984 0.03 329.1518555 0.97 330.2144775 0.91 330.9411011 0.11 331.9878540 0.03 335.0491638 0.08 339.0874634 0.04 340.2025452 0.03 343.2006226 0.11 344.2549438 1.36 345.2139893 2.24 346.2286987 0.30 349.1465454 0.03 351.2670593 0.02 353.7084961 0.15 354.4644165 0.14 355.1860962 0.03 357.1400757 0.05 358.3804321 0.11 359.2805786 0.20 360.1180725 0.05 367.2059021 0.11 368.7569580 0.40 371.1673889 0.09 373.2377625 0.10 374.1199951 0.08 374.7933044 0.04 376.2432556 0.05 381.2215271 0.14 383.9343872 0.02 386.1442261 0.21 387.3178101 0.34 388.1822510 0.09 394.2930298 0.02 397.2230835 0.17 398.0584106 0.21 399.3132935 0.17 401.5029907 0.04 402.3661499 0.02 411.0534058 0.04 413.0237427 0.05 416.0438843 0.03 417.2828369 0.04 419.9301147 0.10 422.9027100 0.04 424.3552856 0.02 427.3754272 0.18 433.4787598 0.02 435.2298584 0.06 437.2944946 0.06 438.3048096 0.07 440.2539673 0.05 441.4585571 0.06 443.2971802 0.17 450.3337402 0.02 453.3446655 0.20 454.2860107 0.07 459.4317017 0.06 465.2838745 0.04 469.7695923 0.19 477.3632812 0.04 484.4155884 0.09 485.2590332 0.28 486.1823120 0.31 487.3776245 0.07 491.3579712 0.33 498.7149048 0.03 499.3218384 0.21 500.7484741 0.12 501.3549805 0.07 502.3109131 0.04 519.0576172 0.33 527.9062500 0.03 533.4372559 0.03 542.3713989 0.02 550.2955322 0.04 566.0583496 0.03 569.4295044 0.04 573.4361572 0.04 587.3522949 0.06 589.3231201 0.08 593.4578247 0.07 605.4151001 0.02 615.6097412 0.08 617.2395020 1.31 618.1740723 0.15 631.2928467 0.82 632.2779541 0.40 633.2678833 0.51 634.2085571 0.03 635.2789917 0.03 636.3070068 0.02 639.2119751 0.34 640.4077759 0.05 644.1229858 0.02 651.3657837 1.86 652.2448120 0.55 652.8462524 0.01 655.3538818 0.12 656.2281494 0.03 663.5088501 0.10 665.3543091 0.08 669.2908936 0.74 670.4594116 0.27 673.1912231 0.04 683.5094604 0.09 697.3450928 0.05 723.2660522 0.02 724.5140381 0.02 725.2645874 0.13 727.1819458 0.03 741.8264160 0.12 751.3666382 0.11 752.6338501 0.10 753.2907104 0.03 755.3182373 0.07 767.4391479 0.04 768.3777466 0.16 769.4227295 1.26 770.5064697 0.22 783.2789917 34.84 784.2693481 14.37 788.6932983 0.03 789.4595337 0.03 797.3395386 0.99 798.4991455 0.32 799.1681519 0.04 801.2770996 100.00 802.2745972 36.09 802.9466553 0.30 812.3662720 0.03 813.4735718 0.04 815.2896118 19.35 816.2779541 7.78 827.2175903 0.79 828.3916626 0.50 832.2894897 0.12 834.2221069 0.03 840.7570801 0.06 841.4534302 0.05 845.1559448 1.64 846.3132935 0.51 887.6367798 0.06 893.3983154 0.06 917.4508667 0.16 930.1372681 0.06 934.5018311 0.02 945.3710327 1.05 946.3231812 0.29 959.3202515 0.04 962.3903809 0.84 963.4116821 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 645.2902 Annotation Granaxylocarpin A Peak:m/z Relative Intensity 204.0910339 0.10 218.1319427 0.11 227.1461487 0.03 246.0449066 0.29 263.1724243 0.10 264.1652832 0.36 271.2693787 0.08 272.2607117 0.20 273.2650452 0.06 274.1565552 0.05 279.2121582 0.03 285.9099121 0.08 289.0604858 0.31 289.8395996 0.13 299.1959839 1.63 300.2875977 0.47 325.2284546 0.20 337.4136353 0.31 338.3326416 0.03 341.3379517 0.22 343.0186768 0.18 344.1265869 0.16 357.2725220 0.69 358.2887573 0.18 359.1159668 0.16 359.9096069 0.04 366.8773804 0.11 368.1894531 0.62 369.3537598 0.07 370.2299805 0.03 373.0924072 0.20 391.0900269 0.02 399.3007202 0.36 400.1646118 0.38 419.3538208 0.21 423.3427734 0.04 430.4703979 0.02 431.3912354 0.06 448.2961426 1.34 449.3338013 3.02 450.4139404 0.48 451.3595581 0.37 453.1130981 0.03 455.1594238 0.02 460.1934204 0.65 461.2522583 1.58 475.9216919 0.30 477.2806396 0.87 478.1226196 1.29 479.4374390 0.40 480.2596436 0.83 481.2517090 1.60 490.2470703 3.03 491.2686157 4.89 492.1770020 2.10 493.2727661 2.53 509.8959961 0.41 522.2033081 6.54 523.2362671 16.06 524.1350098 0.28 525.2621460 0.16 526.6463013 0.15 528.5369873 0.10 545.3673706 0.07 568.3966675 0.14 570.0376587 0.26 572.6114502 0.03 574.9865112 0.07 578.5271606 0.09 586.4295044 0.20 595.3828735 0.86 596.4238281 3.83 611.4308472 0.06 613.3855591 43.56 614.3143311 100.00 615.0664062 0.14 627.4411011 0.13 628.3160400 0.52 629.5272827 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 274.87 Annotation gamma-Pentachlorocyclohexene Peak:m/z Relative Intensity 122.7994537 29.52 128.1590576 0.09 141.0581970 0.15 186.3139038 0.09 190.8259430 100.00 206.7620850 57.10 240.2474976 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 933.4709 Annotation Ampeloside Bs1 Peak:m/z Relative Intensity 337.3228760 2.20 343.1372986 0.26 393.4047241 1.14 433.2191162 0.36 486.6041870 0.18 487.5734863 0.51 499.5376587 0.51 523.6574707 0.51 536.5694580 0.20 559.3275757 0.78 576.6643677 0.56 577.4191284 1.91 622.4326782 0.21 623.6775513 0.21 655.2006226 0.24 663.4600220 1.31 677.6174927 0.40 689.6960449 0.69 707.4751587 0.15 709.5421143 0.27 721.4943848 6.71 722.6884155 0.39 737.2009277 0.52 739.5440063 21.40 751.6776733 0.54 752.7173462 0.32 753.4533081 0.53 755.3379517 0.87 757.4101562 37.95 758.0460815 4.88 769.2125854 0.34 779.5288696 0.22 787.3812866 6.29 797.5872803 1.31 798.5692749 0.56 804.5279541 0.97 809.8091431 2.59 811.5623779 1.11 815.6401978 0.58 817.7667847 1.54 825.8712158 0.51 827.2418213 0.41 835.7445679 1.26 836.7319946 0.26 837.7875977 0.57 839.3793335 0.18 852.5740356 0.71 853.5436401 9.73 856.4012451 0.32 861.4965210 1.78 871.4484253 7.05 872.5761108 0.14 873.5148315 5.30 874.2918091 0.67 889.3466187 2.38 895.6921997 0.59 897.5737305 3.84 915.5150757 100.00 916.3353882 0.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 801.245 Annotation Unknow Peak:m/z Relative Intensity 247.2654419 0.32 249.2103577 1.10 251.1293030 0.14 252.2883148 0.06 253.1099548 0.36 256.1543579 0.08 265.3400269 0.13 267.2685547 2.12 268.2319946 0.51 271.0354004 0.04 281.2026978 0.09 291.1806030 0.11 294.1858521 0.08 302.2410583 0.11 307.5556030 0.10 309.3817749 0.14 315.2967834 0.38 323.1681824 0.11 327.0829163 0.52 330.0975342 0.35 341.2404175 0.78 342.5117798 0.06 343.2006836 0.05 344.9635010 0.04 349.0798340 0.59 350.0046997 0.04 353.2170105 0.14 354.4538574 0.03 365.2952271 0.03 367.2997131 0.03 371.1406860 0.42 381.1708374 2.84 382.3280029 0.37 383.2135620 0.35 386.2816162 0.09 389.1904297 0.92 390.3533325 0.46 397.2420654 0.19 399.1911621 0.71 401.5860596 0.06 402.5054932 0.04 406.9923096 0.08 408.7018433 0.05 409.3182983 0.38 410.2260132 0.43 411.1854248 0.75 412.0911255 0.25 414.9510498 0.29 415.8402100 0.10 423.2935791 0.17 424.5711670 0.97 425.2205811 14.17 426.1794434 2.71 437.2663574 0.06 439.2322388 1.10 440.2916260 0.88 441.5295410 0.95 442.3588257 4.77 443.2032471 5.81 444.1958008 0.73 445.4322510 0.26 450.3465576 0.18 453.1176758 0.19 455.1812744 0.07 457.3446045 1.94 458.1110840 0.43 459.1097412 0.08 463.1461792 0.19 465.2653809 0.30 466.2038574 0.08 467.3009033 0.91 473.6024170 0.04 479.3560791 0.46 480.4229126 0.04 483.3831787 0.22 485.1952515 0.13 486.4092407 0.21 497.1121826 0.47 498.2519531 0.27 509.2849121 0.03 511.4598389 0.14 515.2834473 0.45 516.1644287 0.15 519.6221924 0.07 521.2254028 0.11 529.5650635 0.59 531.4042969 0.05 533.5155029 0.46 537.2353516 0.11 545.1672974 0.22 546.2388916 0.05 551.3447876 0.24 552.3432007 0.13 561.0847778 0.09 562.8932495 0.15 563.5389404 0.02 569.1172485 0.25 571.3583984 0.46 573.2391968 0.85 574.1608276 0.25 577.1854248 0.05 578.3651123 0.02 579.0971680 0.06 585.1202393 0.23 589.3011475 0.45 590.4558716 0.11 591.3629150 0.07 592.4520874 0.16 593.0645752 0.12 594.6631470 0.05 603.3771362 1.67 604.3025513 0.24 607.2705078 4.92 608.4146729 1.11 611.2440796 0.11 621.2143555 25.81 622.2550659 6.08 639.2574463 100.00 640.3648682 24.96 645.2463989 0.17 649.4439697 0.04 655.3626099 0.46 661.5966187 0.25 663.1725464 0.05 664.3118286 0.45 670.4414673 0.04 671.4358521 0.06 675.3892212 0.13 679.3950806 0.03 681.3223267 1.95 682.2413940 0.64 691.5479126 0.07 692.6296387 0.10 693.9580688 0.07 694.6294556 0.23 696.7100220 0.07 704.4980469 0.05 706.2593994 0.14 710.2627563 0.04 716.4434204 0.03 722.0790405 0.05 723.5292969 0.11 729.3963013 0.14 740.1875610 0.22 741.1386108 0.38 741.7776489 0.08 751.2000122 0.97 758.7500610 0.09 765.3803101 0.77 769.2501831 1.73 770.2026367 0.94 770.8449097 0.01 772.7445679 0.05 783.2855835 7.55 784.3998413 2.92 793.5975952 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 353.1449 Annotation Isopropyl apiosylglucoside Peak:m/z Relative Intensity 100.9850159 0.80 113.0188751 2.64 114.9824677 0.09 124.9800186 1.15 130.9825134 0.89 140.8657227 0.14 143.0036011 0.81 148.9940186 0.86 159.0567017 0.70 160.9683228 10.39 191.0025940 0.94 221.0867310 100.00 223.2169189 0.15 233.1526489 2.02 249.3353271 0.20 257.1673584 0.21 258.9154053 0.06 261.2732239 0.05 262.4885864 0.42 263.1928101 0.55 265.1274109 0.54 269.0348816 0.16 279.2766418 0.05 285.0580444 0.06 291.3202209 0.40 293.1752930 2.51 303.2455444 0.10 307.1247864 1.83 308.6417847 0.18 309.4830322 0.06 314.8971558 0.22 334.4985962 0.06 335.3126221 1.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 401.145 Annotation Benzyl beta-primeveroside Peak:m/z Relative Intensity 118.7621384 0.22 125.0190353 2.68 126.8331146 0.02 129.0485840 0.14 130.8984375 1.11 140.9284515 0.07 142.8509216 1.35 143.5010071 0.04 145.0965881 0.14 148.8102875 1.20 153.9097595 0.08 158.9466553 1.50 161.0468140 19.69 162.7655029 0.05 170.8746185 0.13 173.0146942 0.13 179.7991333 0.15 184.7840576 0.40 190.9924011 1.57 193.0142365 0.37 214.8863220 0.05 221.1833954 0.03 233.1124878 6.93 240.2794495 0.10 251.0707092 0.26 269.1011963 100.00 274.9826660 0.12 281.0181580 0.28 293.1237183 6.71 299.2197876 0.05 301.3864136 0.04 311.3498230 0.28 314.3944702 0.02 321.2518921 0.07 329.5791931 0.17 343.1018982 0.10 351.1814575 0.11 355.2344971 3.46 357.3254395 0.30 363.1662903 0.22 371.2409363 0.06 383.1503601 0.34 413.3267212 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1232.3506 Annotation Unknow Peak:m/z Relative Intensity 358.2302246 0.06 375.0234070 0.15 392.6168823 0.08 393.2427368 1.74 394.1415710 0.18 399.7637939 0.36 421.0445862 3.10 422.2985535 0.86 423.2427368 0.16 445.3386230 0.04 473.3157043 0.19 516.6558838 0.05 517.8974609 1.23 519.2581177 0.08 526.1298828 0.36 544.4660645 1.42 568.1523438 0.34 569.2130737 0.37 570.0783691 0.15 579.3104858 0.11 587.0466309 1.50 588.1809082 0.55 604.9555664 0.15 671.9013672 0.13 673.2778320 0.15 682.4681396 1.82 690.2771606 0.31 691.3784180 0.21 700.2049561 15.65 701.1851807 3.67 701.9127808 0.44 718.0332031 6.51 719.2912598 1.37 720.5026855 0.19 754.5639038 0.11 788.3178711 0.25 805.5183105 0.39 819.7055664 0.08 821.6372070 0.26 835.4013672 0.24 836.5821533 0.04 847.2468262 0.52 848.3183594 0.27 853.5976562 0.35 857.7775879 0.25 865.1715088 8.31 866.4063721 2.33 867.0771484 0.42 901.2886963 0.17 910.6947021 0.24 928.3173828 0.28 936.0069580 0.38 937.2963867 0.25 946.6635742 1.75 947.6015625 0.55 963.7071533 1.49 964.3170166 16.80 965.3657227 7.51 966.4089355 1.27 986.4832764 0.14 988.7307129 0.48 1003.8586430 2.46 1004.6202390 0.07 1024.6574710 0.17 1035.6328120 0.26 1047.6853030 0.35 1053.6223140 0.62 1054.5727540 0.32 1061.4504390 0.53 1077.3773190 9.72 1078.1856690 2.58 1086.8010250 2.09 1087.6003420 0.82 1088.2579350 0.15 1092.6956790 39.45 1093.6491700 0.74 1094.6384280 1.48 1095.7188720 0.18 1096.6206050 0.46 1099.5157470 0.38 1104.7780760 0.13 1126.9801030 3.75 1127.5989990 1.45 1128.3947750 0.24 1135.9780270 0.66 1141.9731450 3.56 1142.8450930 0.15 1153.1107180 0.80 1155.8039550 0.58 1157.8032230 0.56 1174.4916990 0.22 1175.7055660 0.25 1179.9050290 2.15 1183.4819340 7.23 1184.2539060 2.31 1187.5360110 0.08 1188.4047850 0.24 1194.1174320 0.89 1211.6577150 5.97 1212.3032230 18.54 1213.2467040 0.89 1214.7802730 0.42 1216.0172120 0.27 1216.7343750 0.11 1220.6784670 1.81 1221.4167480 0.15 1233.8574220 0.25 1235.1184080 0.10 1251.9737550 0.30 1259.7313230 0.09 1261.5184330 1.54 1262.3078610 0.24 1264.2124020 0.45 1269.7252200 0.14 1273.4232180 3.89 1274.2611080 3.27 1275.0252690 0.52 1275.6816410 0.11 1301.2307130 0.11 1301.8485110 0.09 1318.5676270 1.08 1330.4326170 0.63 1331.3371580 2.27 1332.2532960 0.18 1366.2420650 15.19 1366.8542480 46.92 1367.4884030 13.78 1368.2403560 1.07 1368.9562990 0.52 1370.2753910 0.70 1372.6119380 0.21 1415.9041750 11.89 1416.6022950 22.14 1417.8144530 0.34 1420.6428220 0.15 1422.3045650 0.12 1423.4573970 0.06 1430.6314700 0.38 1431.6367190 0.09 1442.7821040 0.06 1443.5885010 0.61 1444.4152830 0.58 1445.5261230 0.14 1461.8785400 0.27 1489.2996830 14.30 1490.1219480 100.00 1492.5002440 0.49 1493.1300050 0.54 1493.9984130 0.16 1495.9754640 0.20 1498.8843990 0.06 1503.5375980 0.15 1520.2890620 0.41 1524.6186520 0.37 1541.6910400 0.16 1542.7312010 1.93 1543.5301510 2.30 1544.7398680 0.56 1546.3839110 5.48 1547.0843510 1.28 1580.7490230 0.15 1590.0904540 3.21 1591.3531490 0.24 1593.1566160 0.17 1629.5181880 4.62 1638.3806150 16.97 1639.0751950 6.78 1639.9056400 0.48 1641.4715580 0.23 1643.1499020 0.58 1688.6959230 0.06 1689.6470950 0.59 1690.5189210 0.21 1776.9060060 0.16 1840.3801270 0.25 1923.6735840 0.09 1990.1317140 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 999.4091 Annotation Unknow Peak:m/z Relative Intensity 309.2009277 0.10 439.5217896 4.08 501.6170349 0.25 601.2791748 0.40 633.3834229 0.28 663.5540771 6.83 673.9251099 0.40 677.5534668 0.10 777.1708984 1.07 793.4627686 1.57 817.3209229 0.32 821.8310547 1.09 833.7210693 0.20 835.3710938 4.90 836.0211182 0.26 837.1287842 0.18 839.4410400 47.59 867.1021729 0.44 875.5705566 0.13 879.3966064 12.07 880.0522461 0.26 895.3841553 2.29 897.4697266 49.82 923.4985352 0.12 927.1185303 0.57 937.4178467 3.95 939.2048340 1.12 940.3260498 11.97 953.5483398 0.56 955.3980713 100.00 956.1005859 0.41 981.3518066 6.65 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 346.1595 Annotation Unknow Peak:m/z Relative Intensity 106.1589355 0.04 116.1559296 0.03 117.0671234 0.08 118.0481339 1.09 118.8923111 0.09 121.9246140 0.18 135.9576111 0.07 139.0334167 0.04 144.7756195 0.08 161.0002136 0.02 174.0919495 0.06 178.9571228 0.06 182.0736237 0.11 221.9473267 0.11 225.3041077 0.21 228.2137756 0.06 229.3040466 0.10 232.1522217 0.12 235.2276611 0.03 249.5541687 0.06 257.0725098 0.06 271.0032349 0.16 279.2795410 0.34 284.4093018 0.10 288.5902100 0.13 292.2785339 0.73 292.9262695 0.23 298.0208130 7.67 298.7865601 0.08 301.9582520 0.20 307.3073120 10.05 308.0122681 0.10 309.8226929 0.61 311.6517029 0.04 313.3657837 4.86 315.1036377 0.43 315.9621582 0.46 318.6964111 0.10 319.5033875 3.83 321.9510193 0.78 324.3040161 0.09 325.0673218 4.84 326.0564575 0.13 326.8991699 0.80 328.2961731 0.64 329.3419189 0.27 331.0286865 54.98 332.1796265 0.45 333.4531860 0.29 334.3005981 0.38 336.7741089 1.23 337.4014893 0.53 338.6955566 0.45 339.7315369 0.10 340.5334778 0.25 351.1142883 0.10 364.7128601 0.06 373.3823547 0.15 379.3440552 0.22 382.5898743 0.25 387.9546204 0.34 389.5298462 0.16 395.8407288 0.17 396.7904968 2.10 397.8142090 0.16 400.9892578 0.18 401.8476257 0.40 407.4394226 0.29 408.2913208 0.12 410.7256470 3.01 411.4122925 0.75 414.0591431 0.11 414.7612610 0.05 420.0443726 1.57 423.4790649 0.20 424.8088684 0.20 428.5312805 0.70 430.7782593 0.10 432.2848206 0.93 433.0058289 0.44 434.3434448 0.30 437.4566345 2.96 438.4585266 0.88 442.8526306 0.22 445.4228821 0.24 446.4591370 21.70 447.3669739 0.80 451.5413513 1.28 452.5452576 0.30 453.6611633 0.27 455.3550110 0.50 456.2909851 0.09 460.4317322 35.32 461.4413757 0.97 469.4432678 100.00 470.4063416 4.82 471.0239563 0.02 474.3023376 0.36 475.4002380 0.15 483.5634460 0.96 484.3060608 0.04 485.2544250 0.03 491.3879700 0.04 501.2116394 0.23 510.5552368 0.04 511.9613953 0.26 524.4721680 0.07 595.4879761 0.05 601.3705444 0.03 677.3925171 0.07 686.5891724 0.15 754.4995728 0.07 821.4965210 0.06 946.8286133 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 877.8588 Annotation Unknow Peak:m/z Relative Intensity 252.3435669 0.03 261.0413818 1.59 263.1973572 0.09 275.0451660 0.19 303.2303772 0.05 306.1957397 0.17 315.4067383 0.21 329.3507690 0.14 350.3238525 0.36 351.1226501 0.09 359.0819092 0.20 360.1420288 0.55 383.7547607 0.24 393.8607178 0.21 396.9492798 0.18 397.8060913 0.16 401.4703369 0.11 404.2791138 0.10 429.2991333 0.71 442.2957153 0.09 449.1199951 1.78 450.8533936 0.24 452.4594116 0.27 457.0623169 0.15 463.2371826 0.30 470.6354370 0.22 481.2257690 0.18 493.5895996 0.10 506.0917358 0.16 509.3060303 0.13 511.1654663 0.15 528.2191772 0.24 529.1022339 0.22 544.2721558 0.04 552.1822510 0.10 553.5811157 0.10 557.7919312 0.53 559.2465210 0.10 576.4367676 0.21 577.3334351 0.11 583.0274048 0.30 584.5453491 0.05 585.3758545 0.05 606.9807739 0.04 622.6392212 0.05 625.5602417 0.07 627.7654419 0.29 641.3360596 0.25 654.4330444 0.16 663.0383911 0.09 664.1276245 0.50 666.1953125 0.19 667.3503418 0.17 678.4161377 0.22 679.1653442 0.09 680.1246948 0.27 682.5266113 0.26 684.1564331 0.35 709.3512573 0.08 711.4041138 0.34 713.4502563 0.19 715.7540894 0.14 719.0476074 0.10 728.0078125 0.42 737.7263184 0.17 763.1887817 0.17 764.1025391 0.11 765.2291870 0.37 766.4508667 0.21 769.8964844 0.59 773.5736084 0.23 774.6974487 0.13 776.9525757 0.43 783.0287476 0.82 784.7531738 0.58 786.2465820 1.01 787.4619751 0.11 788.8029785 0.40 791.7656860 0.38 793.9388428 0.07 796.8225098 0.54 798.8905640 0.23 800.5281372 0.08 801.4194946 0.08 802.6024170 0.77 803.9314575 1.43 804.5698853 0.99 805.2588501 0.59 806.2752686 1.41 808.7934570 1.82 811.1138916 0.38 813.0103760 4.42 814.6680298 1.31 817.4938354 1.26 818.1235962 0.26 819.0079346 0.44 820.2258911 0.32 821.4791870 1.07 822.6613770 0.99 823.7077637 0.52 825.7714844 0.41 827.1324463 0.80 828.1474609 1.04 829.3846436 0.38 830.2095337 0.66 831.3333130 0.67 832.9213867 0.40 834.1248169 1.56 834.9412231 0.54 836.0104370 0.30 837.0307007 2.59 837.7904663 2.41 838.6754761 1.29 840.2542114 1.04 841.4259644 3.77 842.6061401 3.66 843.5079346 0.50 845.2532959 5.48 846.2869873 1.73 847.9219360 2.30 849.3704224 4.54 850.2348022 0.38 851.3978882 0.85 854.0604248 1.75 854.9911499 1.30 855.6261597 0.06 856.3004761 0.72 857.9151001 1.82 859.2289429 1.44 860.4559937 2.10 862.3659058 4.58 863.1917114 1.28 864.8443604 8.10 866.6747437 11.34 867.3657837 0.35 869.2478027 2.10 870.6048584 0.23 877.7177124 0.71 878.7709961 0.31 879.8211060 0.50 881.3861694 0.16 889.4657593 0.34 892.3670654 0.22 892.9824829 0.09 897.3913574 1.43 899.6526489 0.44 910.7111206 0.23 913.9999390 0.73 922.0910645 0.73 922.7592163 0.11 923.4052734 0.10 926.1118164 1.02 928.4608765 0.11 940.1254883 0.29 943.3720093 0.07 945.5817871 0.56 946.4038086 0.11 949.0919800 0.30 950.6354980 0.79 951.2423706 1.50 952.2879028 0.30 952.9906616 0.28 954.0628052 0.35 956.0499878 0.12 957.1667480 1.00 958.5161133 1.06 960.6408081 0.17 962.4287720 0.68 965.3505249 0.05 967.7741699 0.71 968.4479980 0.62 969.1762695 0.11 972.6730347 0.04 973.3705444 1.25 976.2978516 0.16 977.7595215 0.17 979.2490234 5.36 980.9797974 0.51 982.7062378 0.07 983.3184204 0.69 984.3362427 0.25 985.8730469 0.41 987.6983032 0.17 989.3698730 0.57 991.1965332 0.08 993.1533813 0.32 994.4454956 1.80 996.5763550 0.68 999.5231934 0.56 1001.3013310 0.46 1002.2649540 1.58 1003.0368650 1.17 1005.3455200 0.13 1006.1616820 0.92 1007.6154170 1.60 1008.4321900 1.47 1009.3412480 2.58 1010.7734380 0.33 1011.6943360 1.48 1013.3659670 0.45 1014.9641110 4.95 1015.9182740 0.52 1017.3312380 0.52 1018.9458010 0.25 1019.6852420 0.49 1020.8178100 2.14 1021.9851680 0.96 1023.6508180 0.31 1026.0275880 2.54 1028.2963870 0.28 1029.5240480 3.81 1030.2698970 0.26 1030.9896240 0.29 1032.1396480 0.23 1033.0092770 1.01 1033.8601070 0.46 1035.0341800 2.33 1036.0305180 1.67 1038.3892820 1.48 1039.4002690 3.84 1040.1840820 0.05 1041.0109860 2.24 1042.0496830 0.11 1042.9848630 0.64 1044.6143800 15.09 1045.2779540 6.45 1045.9835210 1.44 1047.8482670 1.65 1048.5754390 2.34 1049.7653810 0.44 1050.8370360 42.85 1051.8537600 1.04 1052.5705570 0.07 1053.3720700 0.96 1054.4633790 2.04 1055.6868900 0.81 1057.4270020 0.13 1058.5410160 1.22 1059.9499510 0.18 1061.3171390 1.23 1062.2768550 1.67 1063.6181640 0.88 1064.7553710 0.09 1065.7623290 1.68 1067.5793460 3.10 1068.3593750 0.07 1070.0225830 0.46 1070.6606450 0.63 1071.9427490 2.83 1072.5922850 0.91 1073.3505860 0.58 1074.0981450 1.93 1074.9361570 0.93 1075.6799320 0.17 1077.8425290 34.06 1078.7927250 1.39 1080.3818360 1.07 1081.2956540 0.38 1082.4980470 1.18 1083.8592530 100.00 1084.7041020 0.70 1085.6699220 1.89 1086.7351070 0.49 1088.3758540 2.16 1089.2739260 2.02 1090.2978520 0.59 1090.9716800 0.21 1092.4895020 0.14 1093.8212890 1.72 1095.0102540 1.75 1095.7889400 0.11 1096.4278560 1.77 1098.3344730 0.15 1099.8183590 0.53 1101.0008540 0.22 1101.8371580 0.78 1102.4375000 2.30 1103.9580080 0.49 1106.7541500 0.37 1107.7864990 0.75 1109.9511720 1.31 1111.0659180 2.59 1112.2043460 1.56 1112.9371340 1.19 1113.7265620 1.91 1114.9683840 2.22 1115.6898190 4.07 1116.4078370 2.33 1117.3417970 1.12 1118.0424800 0.40 1119.5263670 3.17 1120.7104490 3.73 1121.9229740 15.87 1122.7438960 2.48 1123.4477540 2.00 1124.4941410 0.24 1125.7382810 5.95 1126.4442140 5.05 1127.1401370 16.94 1128.4929200 0.06 1130.1312260 0.67 1131.0711670 1.25 1132.2536620 30.67 1133.1007080 15.50 1133.9381100 0.27 1134.7050780 0.26 1136.0871580 1.29 1137.2790530 2.35 1138.0789790 5.36 1138.8231200 0.82 1139.9941410 0.19 1142.0151370 0.89 1145.4842530 0.21 1148.4278560 0.18 1157.1799320 0.24 1158.6434330 0.10 1166.2570800 0.05 1170.3793950 0.12 1172.1367190 0.23 1173.9812010 0.35 1181.9853520 0.07 1185.2805180 0.16 1192.6577150 0.38 1203.5202640 0.13 1211.0227050 0.19 1215.0905760 0.23 1218.0699460 0.19 1220.0847170 0.19 1224.5981450 0.16 1225.5571290 0.28 1227.5605470 0.08 1228.3804930 0.08 1229.5246580 0.27 1233.2875980 0.13 1240.2347410 0.14 1243.4357910 0.33 1245.8176270 0.11 1247.4775390 0.27 1254.9825440 0.58 1266.1906740 0.21 1269.5826420 0.29 1274.5386960 0.60 1279.0275880 0.23 1282.5299070 0.18 1296.5820310 0.54 1299.1466060 0.66 1304.7261960 0.31 1308.7662350 0.41 1311.2672120 0.35 1314.4477540 0.06 1315.4327390 0.43 1323.1734620 0.05 1328.9547120 0.23 1330.1536870 0.16 1333.5028080 0.23 1335.3552250 0.06 1337.5106200 0.23 1340.8218990 0.37 1342.3260500 0.22 1346.1185300 0.19 1347.9860840 0.26 1351.7587890 0.05 1355.9630130 0.38 1360.4558110 0.19 1362.1656490 0.17 1370.3529050 0.16 1378.4001460 0.12 1382.6088870 0.21 1389.6682130 0.15 1394.3121340 0.37 1395.4984130 0.25 1400.7762450 0.52 1401.6129150 0.38 1402.9334720 0.48 1404.2421880 0.16 1409.4378660 0.09 1412.3531490 0.11 1413.2792970 0.18 1425.9420170 0.29 1427.3377690 0.03 1429.5242920 0.28 1430.1737060 0.22 1434.9215090 0.49 1437.3541260 0.33 1440.5192870 0.22 1442.2401120 0.95 1442.8834230 0.04 1445.7687990 0.29 1447.9941410 0.12 1448.7227780 0.74 1449.9393310 1.14 1451.3492430 0.24 1453.8454590 0.44 1454.8168950 0.14 1458.4007570 0.98 1459.5947270 0.07 1465.3436280 0.44 1468.0433350 4.52 1468.8536380 1.45 1471.5310060 0.61 1472.6322020 0.25 1478.6140140 0.27 1481.2203370 0.10 1485.3267820 0.36 1487.3887940 0.03 1489.5272220 0.04 1491.4552000 0.38 1496.7276610 0.10 1498.7318120 0.36 1500.9412840 0.53 1507.4547120 0.39 1508.2659910 0.18 1512.4735110 0.24 1513.2280270 0.09 1516.3406980 0.80 1517.3496090 0.32 1517.9949950 0.73 1519.5563960 0.40 1521.8187260 0.40 1523.4895020 0.14 1536.5667720 0.20 1538.1170650 0.31 1539.2980960 0.12 1543.4049070 0.33 1544.2756350 0.70 1552.2413330 0.39 1552.8417970 0.42 1555.5979000 0.56 1558.5997310 0.48 1561.1499020 0.27 1565.9333500 0.91 1567.2772220 0.59 1568.7346190 0.20 1571.6713870 0.11 1572.4487300 0.20 1575.1730960 0.71 1576.0332030 0.13 1580.2012940 0.07 1581.6901860 0.07 1611.8511960 0.18 1623.5506590 0.15 1625.8114010 0.35 1626.6296390 0.37 1627.2932130 0.99 1639.6461180 0.15 1640.4914550 0.42 1654.6099850 0.12 1658.6271970 0.11 1664.5760500 0.05 1669.1140140 0.48 1776.6223140 0.17 1787.7219240 0.28 1799.6749270 0.09 1805.5653080 0.18 1822.5445560 0.07 1832.8096920 0.05 1839.2429200 0.21 1840.9578860 0.22 1843.0750730 0.11 1845.7331540 0.03 1859.0028080 0.24 1885.9914550 0.14 1906.0518800 0.16 1938.4781490 0.30 1942.0313720 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 443.1584 Annotation Unknow Peak:m/z Relative Intensity 129.1644897 0.02 133.0861359 0.03 134.1054840 0.04 135.7539520 0.09 147.0712585 0.05 161.0242920 0.02 163.0491638 0.06 164.0911865 0.03 165.1216125 1.20 168.0535278 0.02 171.9222717 0.74 173.9273987 0.12 174.8889465 0.08 177.1001282 0.11 189.0859070 0.06 191.2346039 0.03 193.3535461 0.07 199.5441589 0.07 200.1587219 0.04 204.5765991 0.17 205.2247314 0.06 213.3338165 0.11 219.4315796 0.04 220.9107056 0.13 229.2392273 0.07 232.1356506 0.09 234.2337341 0.10 244.2477112 0.05 245.2857971 0.16 249.0268250 0.12 257.0879211 0.07 264.1767883 0.16 265.1132202 0.14 266.4374695 0.05 267.4253540 0.03 268.4954834 0.08 270.8242798 0.31 271.4273071 0.02 275.2624207 0.05 281.1724548 100.00 281.7849121 0.47 284.2742920 0.26 285.4797974 0.04 290.9423218 0.09 296.4368286 0.01 299.2377930 0.02 301.4741821 0.04 302.1639404 0.14 309.2953491 0.32 310.3306580 0.08 311.1297913 0.04 315.1105957 0.02 319.4740601 0.02 320.9981689 0.25 323.2211609 1.05 327.3625793 0.30 329.2879639 0.14 335.2590332 0.09 339.3761597 0.17 341.2988281 0.10 344.2768860 0.03 345.2796631 0.32 347.2418213 0.42 353.1630859 0.07 355.1566772 0.09 358.3449707 0.02 359.2981567 0.52 365.1520081 0.07 367.6936035 0.05 368.9399719 0.15 369.5718079 0.04 371.5668030 0.03 373.2687378 0.04 377.3243713 0.30 381.1938477 0.13 383.4854431 0.26 385.3646545 0.19 389.1105042 0.10 395.6043701 0.05 399.3674011 0.08 401.9699097 0.02 402.5859680 0.04 407.0776672 0.30 408.6952209 0.06 410.0613098 0.07 411.6033936 0.05 414.7974548 0.54 415.4257202 1.82 424.7191772 1.52 425.3933105 1.59 429.7312622 0.26 435.0639343 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 182.0807 Annotation 4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline Peak:m/z Relative Intensity 110.1579132 0.13 135.9613190 23.38 164.9870758 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 947.4497 Annotation Unknow Peak:m/z Relative Intensity 287.0434875 0.02 315.3858643 0.05 327.1395874 0.06 329.0213013 0.11 330.1612549 0.05 331.0521240 0.07 345.0428467 0.15 366.9697266 0.10 369.3720398 0.02 397.2684937 0.02 398.9749756 0.03 419.1223145 0.02 429.4797363 0.04 451.5278931 0.05 469.2829590 0.02 476.4957886 0.08 479.3683472 0.12 573.5176392 0.14 583.6196289 0.10 591.6034546 0.17 601.3775024 0.14 608.8587036 0.03 609.4940796 0.04 617.4264526 0.03 621.6078491 0.03 625.6021729 0.03 631.5493774 0.04 639.2603149 0.10 651.3228149 0.09 669.3866577 0.02 705.2946777 0.02 735.7348022 0.05 748.7030640 0.02 753.3451538 0.07 753.9617920 0.04 765.3314819 0.14 766.4900513 0.03 768.5331421 0.04 769.4292603 0.10 770.7046509 0.02 771.6311646 0.23 783.0963745 0.16 785.2029419 0.10 787.0023804 0.06 801.2679443 6.10 802.0983276 0.02 811.0916748 0.03 815.2582397 0.32 826.2747192 0.02 827.5729370 0.05 841.7027588 0.02 849.4707031 0.19 853.7009277 0.03 867.7783203 0.13 868.4044800 0.03 869.5049438 0.02 885.8095093 0.05 888.0099487 0.11 893.7162476 0.02 911.4398193 2.14 915.2644653 0.20 929.4948120 100.00 930.2504272 0.07 932.4194946 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 787.1925 Annotation Myricetin 3-rutinoside-7-glucoside Peak:m/z Relative Intensity 223.2655640 0.05 225.2131042 0.03 241.3719940 0.03 270.0706482 0.15 271.1575317 0.26 281.3211060 0.03 285.1660461 0.09 286.0362549 0.12 287.1532898 0.32 295.0737305 0.01 299.0622864 0.35 312.3680115 0.03 313.2076111 0.03 314.1602783 0.08 315.2064209 0.21 316.1944580 0.20 328.0499268 0.03 329.2112427 0.68 330.1479187 0.75 331.1834717 3.07 332.9204712 0.02 340.0321655 0.03 344.3150635 0.02 346.0307007 0.08 346.9609985 0.02 348.1527100 0.07 353.3146362 0.10 355.2714233 0.02 369.0112305 0.01 373.1524658 0.25 397.1196899 0.04 398.5080566 0.03 399.1972046 0.07 407.4134521 0.05 422.6829834 0.05 437.5992432 0.08 439.0386353 0.35 439.6618042 0.05 449.6101074 0.04 457.2308960 0.49 460.1741333 0.08 461.2083130 0.03 463.1661987 0.06 472.3886719 0.03 475.2741089 1.83 477.0390625 0.07 478.6121216 0.04 485.6190186 0.12 487.3927002 0.14 493.1802979 6.75 493.7882080 0.14 495.4664307 0.16 503.1856689 3.10 505.2419434 0.18 514.2900391 0.09 516.2276611 0.04 518.0178833 0.02 519.5354004 0.03 531.2573853 0.03 533.0790405 0.21 533.6999512 0.02 535.2022095 0.54 540.9370728 0.13 561.2042847 0.03 564.3735962 0.02 574.4199829 0.02 578.5258789 0.10 580.3239746 0.15 587.1105347 0.01 597.2116089 0.05 605.4098511 0.06 606.2698364 0.20 607.3030396 0.06 609.4659424 0.03 610.3193970 0.04 613.9367676 0.03 620.5101929 0.03 621.3796997 0.10 622.7419434 0.22 625.2064819 100.00 625.8416748 0.37 629.4193115 0.05 635.1525269 0.13 637.1954346 0.02 641.0562134 0.06 649.4227905 0.03 653.5114136 0.03 655.2465210 1.32 657.4579468 0.12 658.7643433 0.04 665.4612427 0.01 667.1480103 0.80 677.5162964 0.04 693.3142090 0.04 697.3309326 0.11 699.2313843 0.05 707.5187988 0.06 709.3031616 0.02 725.1591187 0.02 742.2167358 0.80 743.3342285 0.31 744.1227417 0.03 750.4744263 0.10 751.4416504 0.05 755.4274292 0.19 758.3317261 0.01 765.2246094 0.08 767.2416382 0.04 768.5765381 0.25 769.5176392 0.09 770.1537476 0.09 772.5106812 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 345.0825 Annotation Pseudolaroside A Peak:m/z Relative Intensity 102.0450287 0.04 132.6221313 0.10 135.9960632 0.12 136.9790344 2.31 141.2060242 0.09 146.9836426 0.06 149.2277222 0.08 158.3323059 0.12 164.1840820 0.26 165.0866394 0.26 177.9687500 0.09 179.0362244 0.91 180.1291962 0.11 183.1377716 0.08 184.3919067 0.08 192.8700562 0.08 223.0140686 0.26 237.1079712 0.14 239.2227478 0.10 257.2451172 0.09 260.8216858 0.19 265.1912842 0.06 271.2420349 0.14 273.2702942 0.03 285.4165955 0.18 290.4907532 0.06 299.0912476 100.00 300.1737061 1.03 301.5166016 0.87 302.1340942 0.32 303.2193909 0.24 309.1055298 0.09 315.3364563 0.09 316.1526489 0.08 327.3245850 0.38 328.9822998 0.05 330.1004639 0.67 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 925.9122 Annotation Unknow Peak:m/z Relative Intensity 274.0932007 1.71 275.3686218 0.90 277.9848633 0.25 286.0252075 0.22 287.1119995 1.13 308.3960266 0.95 313.2184753 0.22 348.7397766 0.27 350.2147827 0.52 363.2305908 0.76 371.0301208 3.43 381.9916077 0.53 468.0982056 1.58 483.4478760 0.86 489.6018677 0.82 496.9671021 1.41 510.4552002 1.64 518.4749146 0.43 543.7689819 1.31 556.4523315 1.29 566.3216553 0.53 584.5493164 1.38 593.3359985 0.44 611.4742432 0.89 620.5501099 1.18 623.1572876 0.96 626.5277100 1.72 654.4727173 0.91 740.9515991 0.62 751.8299561 0.50 770.1977539 1.20 778.1320190 0.47 778.7927246 1.27 780.2489624 0.50 786.9557495 1.66 789.6278687 0.84 791.3065186 2.76 792.0085449 0.22 798.1958618 1.07 799.1351929 0.73 805.8997192 4.79 813.0431519 4.37 814.5999756 1.32 818.2117310 6.38 823.2537231 0.92 834.8477173 1.71 838.3035278 3.23 839.5606079 4.53 840.9262695 1.30 841.7581177 3.14 844.3656616 1.80 845.7904663 3.02 849.3545532 1.46 850.3009644 4.09 854.0527954 3.52 854.8533325 9.14 857.4248657 5.99 858.9184570 3.34 859.5540161 0.93 861.0971069 3.39 863.6546021 4.70 864.5830078 6.04 866.2621460 10.95 867.0394897 3.81 867.8116455 2.59 868.8195801 8.93 870.9885864 0.45 872.9473267 21.67 873.8323975 1.70 874.5139771 6.33 875.7496338 15.54 876.7795410 2.87 877.4746704 9.68 878.7788696 9.54 879.3908691 5.35 880.9437256 3.25 881.9193726 5.33 882.7734985 4.01 883.9260254 10.87 885.7886963 17.39 886.5020752 5.49 888.1998901 9.35 890.1967773 22.93 891.1201172 16.80 891.9417114 14.30 893.6300659 11.81 894.4683838 16.77 895.2451782 8.01 896.8148804 1.86 898.1082153 74.71 899.0656128 85.94 899.9553833 1.65 900.5907593 5.52 902.0538940 16.07 902.6581421 17.53 904.6381836 8.08 905.5292969 8.21 906.6751099 3.88 908.8927002 11.36 910.7157593 32.25 911.6949463 17.20 912.5811768 19.02 913.7138062 7.53 915.3053589 94.12 916.5437622 10.16 917.6530151 33.15 918.3474731 1.48 919.0397339 0.93 938.8805542 0.62 940.6104126 4.18 944.5982056 2.05 950.1928101 2.26 955.6705933 12.95 962.4050293 0.90 973.1923828 4.28 974.5353394 1.32 975.8010864 6.22 978.0972290 4.57 987.6303711 2.05 988.6948853 2.26 991.1365356 3.39 992.5650024 6.12 994.7751465 7.19 998.4802856 3.58 1006.0120240 2.85 1007.6020510 3.70 1013.4440310 2.52 1022.4657590 5.13 1026.5627440 3.10 1031.3421630 3.50 1032.0041500 1.72 1034.6999510 6.49 1039.3153080 1.74 1040.7839360 4.98 1042.4746090 0.66 1046.3725590 0.47 1050.2039790 2.14 1056.0446780 2.43 1056.9136960 1.21 1057.5695800 0.64 1060.7995610 6.61 1064.1088870 2.69 1066.1936040 2.67 1067.3144530 8.00 1073.8635250 6.78 1074.8951420 2.82 1075.6931150 2.23 1077.1818850 4.36 1079.6417240 3.01 1081.1416020 2.11 1084.8372800 7.09 1085.5911870 6.65 1089.6219480 0.92 1091.6146240 5.38 1093.5155030 4.72 1094.2314450 2.98 1098.1437990 6.97 1099.5501710 4.25 1100.3156740 5.41 1101.0747070 6.07 1102.4296880 7.30 1103.0889890 4.72 1104.2924800 1.23 1105.3186040 7.81 1108.2514650 11.59 1109.4753420 4.92 1110.4859620 2.80 1111.1062010 0.62 1112.5947270 0.68 1113.2034910 4.74 1114.4228520 2.79 1115.0683590 0.52 1116.2552490 21.89 1117.1489260 4.81 1118.1665040 9.69 1119.1479490 16.05 1120.0705570 9.98 1120.8916020 3.14 1121.5758060 2.64 1122.8154300 6.20 1124.2404790 7.38 1125.4034420 3.99 1126.5783690 1.99 1127.4149170 9.20 1128.1945800 3.97 1130.4415280 0.48 1131.6839600 16.54 1132.8386230 10.16 1133.7675780 9.28 1135.0144040 11.21 1135.6306150 0.63 1138.2363280 13.80 1138.8801270 7.01 1139.6412350 1.39 1140.8319090 18.43 1142.1591800 12.98 1142.8286130 0.49 1143.4421390 7.81 1144.1635740 0.91 1145.8089600 19.47 1146.6701660 6.05 1148.1717530 26.10 1149.1844480 25.50 1150.0172120 0.26 1151.5260010 7.66 1152.2174070 2.49 1152.9584960 5.10 1154.2268070 48.33 1155.5495610 7.95 1157.1328120 13.29 1157.8208010 4.43 1159.5068360 7.15 1161.4482420 3.88 1162.0855710 5.25 1163.5104980 4.66 1164.2968750 5.16 1164.9675290 5.35 1165.7990720 5.86 1167.6746830 17.74 1168.4421390 11.67 1169.3450930 4.35 1170.2551270 6.34 1171.6499020 3.57 1172.4813230 3.96 1173.5484620 7.00 1174.5938720 4.15 1175.6783450 2.34 1177.6563720 13.06 1178.5637210 2.81 1179.7451170 4.07 1180.6925050 10.27 1181.8671880 4.91 1182.7480470 3.81 1183.9414060 27.80 1184.7521970 10.51 1186.2089840 48.78 1186.9470210 26.81 1188.0063480 12.97 1188.9010010 1.56 1190.8212890 14.65 1191.9466550 46.09 1192.7937010 9.09 1193.6851810 3.02 1194.6594240 3.53 1195.8369140 6.64 1197.2261960 41.91 1197.9027100 100.00 1198.7192380 15.98 1200.3532710 6.56 1202.6943360 32.00 1203.3188480 4.53 1204.2916260 5.16 1206.5141600 0.96 1208.4611820 5.69 1210.4450680 4.02 1211.3918460 2.61 1213.3061520 0.24 1217.5988770 2.28 1230.1469730 1.96 1240.3937990 0.53 1249.2844240 0.34 1256.6451420 5.13 1260.2028810 0.93 1267.1450200 1.87 1282.1116940 2.03 1288.8402100 1.56 1293.1636960 1.84 1300.7176510 1.99 1315.3016360 1.19 1317.0184330 2.34 1320.9874270 1.05 1326.2866210 1.75 1332.0863040 0.50 1339.4702150 0.39 1349.7239990 0.84 1356.6898190 1.55 1366.8223880 1.85 1384.8594970 0.84 1386.7420650 3.86 1391.7799070 3.91 1393.0421140 1.46 1398.0091550 2.34 1406.7172850 0.39 1419.7398680 0.87 1423.4810790 3.38 1424.1534420 0.70 1432.7813720 1.43 1438.8032230 1.52 1439.7122800 3.46 1441.1033940 1.38 1445.9888920 0.87 1487.8411870 0.91 1495.4843750 1.50 1499.7177730 1.63 1513.2756350 0.44 1531.6912840 3.81 1544.7359620 2.23 1561.5712890 2.73 1562.8050540 1.00 1579.8775630 2.28 1600.2000730 2.85 1604.5897220 5.22 1631.8477780 2.69 1647.5612790 2.85 1652.3360600 3.26 1658.1472170 2.35 1673.0853270 1.38 1673.9108890 1.08 1678.1710210 1.74 1816.2271730 0.78 1830.4642330 2.13 1930.0648190 2.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1437.62 Annotation Maytanbutine Peak:m/z Relative Intensity 425.5234375 0.11 435.0228271 0.48 439.5708923 0.44 467.7523193 0.14 483.5626831 0.20 501.4719849 1.52 525.6921387 0.18 543.5368652 0.69 671.6082764 0.03 737.6143799 0.41 791.5611572 0.73 809.6390381 0.94 931.8922119 0.14 937.2602539 0.14 955.7253418 0.04 979.3203125 0.25 989.5720215 0.12 997.4058838 0.69 1025.4608150 0.22 1067.5460210 0.14 1069.4432370 1.44 1087.7115480 1.22 1129.5780030 100.00 1130.9191890 0.32 1131.6076660 0.45 1305.6981200 0.71 1306.5805660 3.35 1307.4941410 1.08 1333.6208500 0.12 1347.6558840 0.06 1375.6218260 0.62 1393.5581050 0.08 1418.4869380 0.38 1419.4973140 1.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 987.4835 Annotation Ageratoside B1 Peak:m/z Relative Intensity 304.8028564 0.27 309.3620911 0.15 319.2150879 0.07 323.1422424 0.15 373.8748169 0.14 375.5540161 0.96 379.4695435 0.84 388.1198425 0.19 391.2715454 0.23 393.6414795 0.52 397.0302429 0.80 409.3331604 0.23 421.5481567 0.91 423.3887024 0.16 439.4795837 0.39 444.6503601 0.17 481.2888794 11.40 482.1634521 0.85 487.4847717 100.00 499.3071289 59.90 500.1349792 0.29 595.1876221 0.34 605.1755371 0.15 613.2109375 0.26 644.2275391 0.12 647.4976196 0.26 649.0989380 0.62 660.3048096 0.15 661.5593262 0.28 664.4488525 0.22 701.4095459 0.78 767.5186157 0.12 780.5593262 0.46 789.3907471 0.93 809.4559326 0.43 811.1740723 0.81 811.8632812 0.43 823.3470459 0.14 824.8968506 1.28 826.4772949 2.08 827.6346436 1.20 840.5527344 0.95 863.5656738 0.11 866.0078125 0.75 867.3599854 0.27 884.1485596 1.02 885.4328613 2.46 925.3901367 0.20 927.1237793 0.71 927.8480225 0.12 941.5417480 0.08 942.4776611 2.93 943.4586182 2.42 951.7753906 0.21 955.4046631 0.15 969.4312744 0.58 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 784.1486 Annotation FAD Peak:m/z Relative Intensity 241.1375275 0.46 242.2808533 0.03 243.0989685 0.07 255.2535400 0.13 273.0524597 0.17 321.3296509 0.04 328.2235107 0.03 339.2388306 0.02 346.1315918 40.41 347.1140137 4.37 381.7553711 0.13 394.5008545 0.14 408.2764282 1.39 409.3037109 0.08 419.3760376 0.36 426.0228882 0.21 437.1476440 100.00 438.2276611 14.00 452.0152588 0.02 455.2031250 0.33 456.3429565 0.10 468.1328735 0.30 469.0189819 0.04 481.2980957 0.04 517.1304321 2.89 518.0744629 0.42 526.2876587 0.10 528.3563843 0.18 542.2534180 0.47 543.2160645 0.02 544.5820923 0.03 581.8272705 0.09 616.6183472 0.03 663.3986206 0.03 664.6638794 0.08 710.6329956 0.03 738.1924438 0.06 740.2424927 0.05 766.1361694 0.67 767.1944580 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 985.426 Annotation Unknow Peak:m/z Relative Intensity 290.9614563 0.26 319.3553162 0.20 365.3163452 0.21 421.7359619 0.08 423.3810120 0.12 439.4489746 0.77 455.5341187 0.21 467.3588867 3.85 469.5919495 0.20 483.5338745 0.55 484.2668762 0.04 485.4057617 12.07 486.0068665 0.12 487.5643921 2.33 499.3284912 0.17 501.5072327 0.28 513.3094482 2.94 517.5816650 0.12 529.6105957 0.15 535.9555664 0.14 537.6527100 0.73 545.6433716 0.17 553.2772217 0.14 555.4129028 0.15 563.7502441 0.18 567.5224609 2.76 577.3709717 0.12 579.3082275 0.35 581.5432129 11.31 583.6392822 0.09 599.4552002 5.86 601.5425415 0.85 607.3811646 0.38 617.3623047 2.34 625.2941895 0.76 642.9085083 0.24 643.5496826 0.60 658.0935059 0.14 659.4259644 0.44 661.7408447 0.17 663.6029053 0.82 665.6884766 0.52 703.7492676 0.06 713.8027954 0.16 717.8673706 0.24 749.4704590 0.68 757.6337891 0.42 778.9948730 0.30 779.6302490 0.56 787.1998291 0.17 791.6041260 0.15 805.4831543 0.49 807.5888672 1.63 809.5832520 0.50 820.8576660 1.31 821.5432129 9.38 823.5877686 66.12 825.4826660 71.15 826.2578125 0.12 837.4780273 0.32 839.4560547 0.09 844.4304199 0.20 847.7731934 0.09 853.5881348 0.35 865.0538330 3.64 865.6834717 4.90 881.3942871 1.92 883.4693604 30.94 907.8858643 0.13 913.3247070 0.86 923.5531006 0.80 925.1488037 1.67 926.3970947 2.80 941.4674072 100.00 942.1058350 0.80 967.3413086 0.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 614.9 Annotation Unknow Peak:m/z Relative Intensity 199.0728760 0.02 273.0153198 7.26 385.1158447 0.08 387.0025635 16.49 494.7138062 0.02 499.0054321 0.74 500.8843384 100.00 501.5059204 0.24 541.1051636 0.13 568.8110962 0.71 570.2233887 0.21 570.9132690 0.23 586.5914917 0.10 596.5531616 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 401.1815 Annotation Spionoside B Peak:m/z Relative Intensity 112.7681885 0.16 118.7630310 0.36 121.0669403 0.06 128.9323273 0.05 130.7283630 0.10 142.9943237 0.37 148.9490967 0.09 155.2116089 0.14 161.0540161 0.36 163.0684967 1.35 177.0457764 0.73 179.0636597 1.31 183.3000488 0.12 197.0586548 0.09 203.0687256 0.61 205.3547058 0.07 208.2443542 0.25 209.2232056 0.06 221.0519714 0.15 222.2552795 0.14 241.1920776 0.13 243.0494995 0.12 247.9135437 0.06 253.0273132 0.84 257.4184265 0.14 258.8562622 0.70 281.0847778 0.11 283.2389526 0.35 301.2609863 0.11 302.7247925 0.24 304.0183716 0.21 304.8501587 0.17 306.0093384 0.09 308.1504822 0.07 310.9305420 0.04 315.2167053 0.45 329.0519714 1.01 338.2840881 0.11 339.3892822 0.07 341.2755127 0.92 343.1885376 100.00 345.2289124 0.23 354.5644836 0.18 355.3070068 0.13 355.9472351 0.18 357.3931580 1.08 359.0981750 0.44 363.9354553 0.16 365.1733093 0.37 366.0882568 0.27 371.2826843 0.21 382.1620178 0.27 383.2128296 2.95 386.3512268 0.06 401.0993958 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 206.89 Annotation Unknow Peak:m/z Relative Intensity 122.8062134 100.00 188.8853302 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 703.3 Annotation Unknow Peak:m/z Relative Intensity 217.0896454 0.21 235.1508179 0.31 273.3274841 0.19 276.8413696 0.07 319.1892090 0.19 324.9566040 0.15 334.2780457 0.08 337.1437683 0.14 404.4075928 7.09 405.3362427 9.13 439.5525513 2.45 446.5926514 1.39 468.3455200 0.28 498.8217773 0.47 528.8699341 0.54 534.0703125 0.65 537.2252808 0.11 541.3811035 0.27 550.3104248 2.32 564.2515259 1.20 568.3107910 0.23 570.9639282 0.41 574.4128418 0.42 576.5490723 0.28 579.2550049 0.59 597.9890137 0.09 607.1712036 4.24 608.0189209 2.40 616.3355713 22.76 616.9875488 4.36 619.3189087 0.25 627.3406982 0.50 628.3251343 0.57 637.2540894 3.62 637.9345093 2.28 641.7865601 0.05 655.1806030 0.47 664.4833374 1.29 673.3777466 64.02 674.0194702 10.53 680.7626343 0.16 682.5077515 100.00 683.4927368 0.61 687.7517700 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1159.5208 Annotation Unknow Peak:m/z Relative Intensity 341.0013428 0.09 387.5278625 0.02 439.6530151 0.02 509.3359375 0.03 559.2738037 0.02 675.4534912 0.11 676.3522949 0.03 681.8356934 0.04 829.3385010 0.12 835.5916748 1.10 939.6533203 0.12 940.6917725 0.02 952.9257812 0.06 976.8204346 0.04 982.7647705 0.30 983.6137695 0.28 984.7551270 0.15 998.5286865 0.13 999.3555908 0.07 1011.5426030 2.61 1012.4199220 0.06 1039.6101070 0.06 1057.3813480 0.47 1099.3342290 0.04 1100.5651860 0.01 1101.2312010 0.08 1115.3494870 0.28 1116.6838380 0.17 1128.2363280 0.03 1141.3847660 100.00 1142.3759770 1.85 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 262.86 Annotation 1-Bromo-3-iodoacetone Peak:m/z Relative Intensity 91.1188202 0.09 93.0233307 0.13 95.1459198 0.08 99.7953644 0.06 107.2185974 0.37 110.9073486 0.07 117.9819794 0.09 120.9085846 0.08 128.9304962 0.06 137.9364624 0.07 139.8004608 0.08 141.7675476 0.09 144.7907104 0.17 145.8739777 0.07 156.6973419 0.09 158.9974060 0.31 159.8721466 0.10 160.8549652 0.28 166.8139954 0.24 170.9028778 0.28 172.7700195 100.00 174.8299713 94.37 175.8982544 0.05 177.8548279 1.02 185.1762238 0.20 186.1628418 0.13 189.1733551 0.08 190.8750305 31.72 193.2299042 0.07 194.9677429 0.07 196.0225067 0.33 200.8842926 0.16 201.9825439 0.25 202.9051971 0.25 204.0516510 0.35 205.2210846 0.17 206.3030853 0.36 207.1128998 0.30 208.6991119 0.63 212.9961548 0.47 216.0068207 0.11 216.8981323 1.91 217.8723907 0.74 218.9239197 36.68 221.8492279 3.94 223.6820221 0.09 225.8390350 1.57 226.9250641 0.33 231.4624176 0.19 232.3085175 0.27 233.0169678 1.04 234.6969604 3.55 235.4356079 0.15 236.9263306 1.67 239.8056030 1.90 240.6982422 1.39 241.8042145 1.10 242.5066528 2.28 244.8049927 7.50 247.0529327 0.52 248.7326813 13.70 249.4228363 1.75 250.3634186 0.56 251.3080902 0.92 253.4805756 3.11 254.6766205 0.18 255.4933319 0.13 257.4118652 3.00 258.1143188 0.61 262.4258118 1.30 263.0944214 0.02 266.3944092 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1171.48 Annotation Dihydrobuddlenol B Peak:m/z Relative Intensity 439.5075073 2.51 453.2113647 0.76 687.2670898 0.40 689.4532471 0.23 711.3859863 0.25 731.5959473 0.28 773.0954590 2.61 793.0869751 0.64 793.8114014 0.13 835.5808105 5.75 893.6739502 0.31 949.5513916 2.03 955.3041992 0.16 965.4718018 0.27 989.2263184 0.23 993.4555664 0.40 995.8488770 0.06 1006.8399660 0.51 1007.4421390 4.80 1008.0931400 0.05 1011.4798580 37.61 1039.5274660 0.15 1051.3747560 8.99 1052.0633540 0.31 1067.1501460 1.86 1067.7641600 0.43 1069.5113530 56.80 1083.4769290 0.15 1099.6103520 0.53 1109.4365230 4.27 1111.2196040 1.35 1112.2961430 9.18 1112.9350590 0.12 1127.3688960 100.00 1128.0220950 1.15 1143.0759280 0.40 1153.3287350 3.84 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 304.9915 Annotation Unknow Peak:m/z Relative Intensity 86.8892288 0.06 89.1210556 0.02 111.1692657 0.04 114.9702454 7.49 132.9151306 100.00 139.0378418 0.02 142.0760193 0.02 154.9057007 0.03 159.9042816 0.02 164.1655731 0.02 169.1525269 0.03 173.0554199 0.04 188.7690582 0.02 197.0008850 0.02 201.0402222 0.54 215.2304993 0.04 217.0193481 0.03 218.0112305 0.04 221.0512390 0.02 229.0305481 0.02 230.2828064 0.11 231.0223389 0.02 233.0514832 1.08 243.2291565 0.03 244.9253235 1.11 252.9576416 0.02 259.1534424 0.13 260.2510986 0.03 260.9244385 0.18 261.6170044 0.02 267.9780579 0.02 271.0557861 0.06 286.3065186 0.70 287.0706177 1.87 288.1917419 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 455.1403 Annotation Unknow Peak:m/z Relative Intensity 165.0342712 0.06 172.9627991 0.22 173.9890442 0.16 191.2288818 0.08 241.0496826 0.13 257.0940247 0.19 259.0291138 0.65 261.2745056 0.06 277.3144836 0.07 285.1309814 0.09 286.8682861 0.11 293.2523499 0.35 301.1536865 0.30 303.2831116 0.05 309.2371216 0.14 309.9388428 0.10 311.1889648 0.10 315.9750366 0.29 324.2277527 0.66 325.1693726 0.32 334.3273010 0.05 337.2343140 0.06 339.3553467 0.06 351.1000671 0.17 357.4463806 0.13 361.2086487 0.14 363.4647522 0.09 365.2293396 0.22 371.4285583 0.45 378.9403381 0.05 380.2978821 0.07 383.2695312 2.46 394.2903137 0.28 405.9538269 0.14 409.1926575 100.00 410.4513550 0.36 411.3048706 0.14 415.6447449 0.09 419.3721619 0.09 437.1451111 0.79 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 188.07 Annotation Indoleacrylic acid Peak:m/z Relative Intensity 117.9628906 0.31 142.0754242 0.43 143.9930573 10.42 145.9152222 100.00 146.6805725 0.01 160.0323029 0.53 165.0898590 0.06 169.9993286 3.54 170.9364777 0.13 173.0603790 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1233.5521 Annotation Unknow Peak:m/z Relative Intensity 411.5113525 0.13 426.3066406 0.50 438.6878662 0.33 439.3138428 0.09 483.3148804 0.19 484.3248901 0.23 501.6739502 1.83 502.6384277 1.95 503.6423340 0.28 525.5046997 0.26 587.6295776 0.24 588.4852295 0.17 791.5993652 0.05 795.8215942 0.07 809.4611816 1.28 810.3585815 1.85 811.2139282 0.57 821.3256226 0.45 822.4838867 0.11 823.6300659 0.12 925.6400146 33.49 926.5737305 100.00 927.5545654 29.50 928.1712646 0.19 928.8856201 0.09 1022.8304440 0.20 1102.6091310 0.47 1103.5993650 0.23 1104.7795410 0.28 1190.6226810 0.30 1216.6547850 0.47 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 941.4395 Annotation Sublanceoside D2 Peak:m/z Relative Intensity 330.3468628 0.10 337.1015625 0.39 404.3278809 0.05 405.5765381 0.19 409.6753540 0.21 421.2913818 0.16 423.5650635 1.50 426.6112061 0.18 435.2686157 0.55 439.4597778 1.44 441.1247559 0.45 441.7404785 0.74 451.5323486 1.20 452.2185669 0.12 453.5880737 0.68 461.3912964 0.10 469.5322876 0.39 471.4748535 37.09 481.4446411 0.56 483.5130005 0.26 491.3480225 0.07 493.3798828 0.63 495.3402710 0.15 499.4086914 5.63 501.4110718 1.20 511.5750122 0.22 513.3206177 0.79 513.9332886 0.11 517.6309814 0.23 520.5598145 0.07 525.5637817 0.08 527.5540771 0.69 529.3479614 0.56 533.4901733 0.10 535.9436646 0.22 537.3895264 0.09 539.3957520 0.86 541.5889282 0.41 550.6024170 0.57 553.5694580 3.51 567.4523315 23.86 568.3496704 0.05 569.3321533 0.53 584.4114990 9.61 585.5427856 18.55 587.6770020 0.42 591.3238525 0.20 593.4689331 0.37 595.3928833 0.08 597.3225708 0.21 599.5616455 0.08 603.4457397 6.11 611.4815063 1.53 626.5546265 0.06 629.5736084 2.34 633.8462524 0.13 641.4398804 0.17 647.3452759 1.06 651.6437378 0.12 655.3142090 0.07 659.3801880 0.17 666.6029053 0.35 675.4100952 0.21 680.1933594 0.10 681.7749634 0.13 689.6992798 0.11 698.6931763 0.58 699.4855347 0.44 701.1744385 0.39 717.6090698 6.97 729.5494385 0.05 735.4221802 3.78 742.6106567 1.11 743.5536499 0.09 747.6889648 0.24 749.5840454 1.97 760.5106812 17.06 761.5557251 8.08 764.4021606 6.89 765.4370728 2.95 773.4703979 0.77 777.6104126 0.17 779.4448853 100.00 780.2117920 0.42 797.6224976 0.11 809.4880981 5.36 810.5640869 2.43 811.6115112 0.52 820.7249146 0.15 821.5040283 2.22 822.1369019 0.10 825.7962646 0.25 833.4075317 0.08 837.4583130 0.10 843.5678711 0.17 846.4652710 0.18 862.4961548 0.42 878.2955933 0.09 879.2312012 0.37 891.3839722 0.32 897.2835693 0.99 902.8883057 0.65 904.6425171 0.08 905.4067993 0.51 908.8045654 0.18 909.6187744 0.14 910.6621704 0.55 922.6357422 1.18 923.5904541 1.41 924.8234253 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 793.3258 Annotation Bn-NCC-2 Peak:m/z Relative Intensity 228.7485046 0.07 247.3041382 0.03 249.2533722 0.07 267.2768860 0.16 270.3033752 0.17 289.3648071 0.06 289.9662476 0.09 294.2631836 0.02 299.1513062 0.41 303.2912598 0.09 311.1929321 0.07 315.5088196 0.03 325.1177368 0.12 349.0903931 0.06 359.3576050 0.19 371.3481140 0.15 385.3679810 0.08 389.0999756 0.03 404.5161133 0.24 409.2122803 0.08 416.6358032 0.14 422.0332642 0.05 431.2296143 0.14 434.3494263 0.86 436.1706543 0.06 438.7229004 0.06 440.0360718 0.07 445.4129639 0.07 447.9257202 0.18 452.6483154 0.14 455.7656860 0.11 460.4370117 0.18 461.2555542 0.30 463.2677002 0.07 464.2975464 1.71 466.1719360 0.24 467.0969849 0.09 476.5542603 0.59 477.4114380 0.08 487.2759399 0.05 489.4030151 0.17 490.2748413 0.26 505.3279419 0.18 508.4549561 0.05 520.6897583 0.20 521.5189819 0.09 542.3013306 0.04 549.1602173 0.09 552.8589478 0.17 563.6156616 0.09 567.8831177 0.07 569.3577271 0.33 571.8594360 0.14 573.1610718 0.05 587.2420654 12.78 592.4995728 0.16 595.5365601 0.22 597.2390747 0.18 599.3861694 0.93 607.6759033 0.11 608.4602661 0.25 611.5886230 0.30 613.2604370 13.01 616.2760620 0.04 617.2124023 0.13 621.6145630 0.03 626.4042969 9.83 627.3590698 0.07 628.7559204 0.20 631.2994995 4.96 634.1867065 0.11 635.2190552 0.23 638.4722290 0.08 643.3757935 0.06 648.6647949 0.11 649.6981812 0.15 652.2146606 1.82 654.3067627 0.29 656.5089111 0.05 660.5776978 0.11 670.1157227 2.48 673.4972534 0.14 677.1670532 0.04 680.5793457 0.42 689.7039185 0.23 695.0283813 0.25 696.9200439 0.18 701.4102783 0.07 703.3547363 1.56 704.1772461 0.04 705.4132080 0.16 706.3839111 0.05 715.3975830 0.15 717.1612549 0.03 718.1503906 0.37 721.4771118 0.14 729.0562134 0.21 731.4180298 1.35 732.4299316 0.19 733.6677246 0.09 734.7731323 0.04 739.2891846 0.07 743.1262817 0.06 747.3947754 0.05 749.4028320 23.50 755.3525391 0.29 757.3052979 1.81 760.4100952 1.04 761.4818726 1.93 764.3385010 0.03 765.3103027 0.55 775.3428955 100.00 776.0182495 0.30 777.3585815 0.53 785.6315308 0.04 786.7355957 0.08 787.6195068 0.20 792.5811157 0.08 793.6968384 0.23 795.0445557 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1289.59 Annotation Unknow Peak:m/z Relative Intensity 439.3568115 0.30 467.3294373 0.08 485.5153809 6.18 527.5613403 0.70 569.5736084 0.06 571.2925415 0.05 595.8242188 0.03 613.4770508 0.02 631.3640137 0.42 673.5983887 0.13 733.7518311 0.05 741.4710693 0.28 775.8360596 0.02 777.6141357 0.02 793.3933716 0.61 798.3558350 0.12 817.6196289 0.03 835.5054932 0.08 836.4982910 0.07 921.6705322 0.57 939.6679688 10.39 940.4400635 0.03 948.6356201 0.05 953.5517578 0.32 981.5042725 100.00 982.3164062 0.72 997.3061523 0.03 1007.5093990 0.07 1052.5476070 0.04 1067.3488770 0.03 1077.7392580 0.05 1083.5268550 0.11 1095.6104740 0.24 1109.4284670 0.04 1111.5373540 0.55 1113.6337890 0.17 1121.5024410 0.12 1125.4593510 0.22 1129.5102540 0.84 1144.4431150 1.18 1145.0439450 0.15 1145.6513670 0.14 1157.3414310 0.38 1158.4956050 3.16 1159.7292480 0.35 1169.3656010 0.40 1176.4766850 0.04 1185.6207280 0.74 1187.5428470 1.05 1194.0450440 0.04 1217.9930420 0.10 1227.3969730 0.08 1230.6010740 0.22 1239.5100100 0.02 1245.4543460 1.95 1270.4790040 1.06 1271.6143800 0.71 1275.7679440 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 677.2796 Annotation Unknow Peak:m/z Relative Intensity 205.1511230 0.01 282.2415161 0.04 286.8659058 0.01 301.1163940 0.01 337.1029663 0.08 355.2507324 0.11 357.2212524 0.19 358.1441040 0.10 369.2001343 0.61 370.3071899 0.15 392.4536743 0.03 409.3023682 0.02 411.7458496 0.03 428.6521606 0.02 429.3858643 0.25 444.3684692 0.04 449.3994751 0.02 452.2206421 0.04 453.1677856 0.02 464.2192383 0.02 473.1975098 0.01 476.5072021 0.10 477.1940918 0.06 480.1661377 0.08 482.7750244 0.02 486.2172241 0.06 488.3786621 0.24 489.2462158 0.11 490.3257446 2.97 491.2855225 1.00 492.2804565 2.93 493.3007202 1.28 494.0705566 0.63 494.6851807 0.23 495.3352051 0.45 502.3369751 0.09 504.4580078 0.24 506.2675171 1.54 507.2285156 0.53 508.2847900 0.13 512.2171021 1.21 513.1702271 0.32 514.3748169 0.07 515.4848633 0.12 516.4310303 0.02 520.3381958 46.60 521.4188843 22.31 522.3161011 100.00 523.3040161 43.44 524.3866577 0.48 525.3042603 0.31 529.8457031 0.02 531.2432251 0.05 538.2966919 4.56 539.3986816 2.16 547.8801880 0.03 573.3914185 0.03 580.7543335 0.01 599.2522583 0.09 600.4033203 0.07 601.1447144 0.31 602.2568970 0.12 608.9429321 0.08 609.6816406 0.09 610.3045044 0.04 613.2576294 0.52 614.4151001 0.27 617.2642212 0.53 618.4799194 0.32 619.3349609 0.03 623.5283203 0.18 624.2838745 0.08 627.2387085 0.94 628.2525635 0.47 628.8615112 0.01 631.1107788 0.05 632.3147583 0.04 633.4420776 0.20 634.3036499 0.10 641.3143311 4.47 642.3910522 2.09 645.2158813 15.00 646.3020020 6.13 649.2203979 0.33 650.5587158 0.09 659.1961670 13.94 660.2764893 6.49 661.2989502 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 413.1665 Annotation (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] Peak:m/z Relative Intensity 128.1478882 0.02 158.0256958 0.04 161.8672485 0.03 171.3088989 0.05 203.1559753 0.05 235.2577515 0.03 236.9996033 0.14 241.2284851 0.21 243.0616150 0.02 251.1319275 0.36 253.1897583 0.03 255.8841248 0.02 258.6461792 0.03 260.9792786 0.09 275.1304932 0.22 277.1686707 0.10 278.7319031 0.06 279.9581909 0.30 281.0331421 0.46 285.2380981 0.08 299.0827637 0.10 321.3221436 0.01 323.1938477 0.28 324.3189087 0.12 325.4121094 0.06 329.0514526 0.08 340.9774780 0.14 342.5758057 0.11 360.3272400 0.09 365.3498535 0.02 367.2281799 100.00 367.9602051 0.25 369.2102356 0.45 374.9939880 0.27 376.9555054 0.05 392.6380920 0.04 394.8804016 0.39 412.2267456 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 561.4928 Annotation Unknow Peak:m/z Relative Intensity 158.8443909 0.71 159.9392700 0.08 168.8891602 0.53 170.1718445 0.15 170.9153748 0.07 177.3031006 0.05 184.3247375 0.03 185.0552216 0.26 187.0598907 0.80 188.0518188 0.08 194.9431763 0.19 198.9536133 0.65 202.2129822 0.05 211.0248566 0.14 212.1022339 0.79 213.3833618 0.11 215.0218353 0.03 216.5086670 0.38 217.1097717 2.16 218.1525879 0.18 226.1293793 0.15 227.4360352 0.14 229.0544281 1.77 230.0663147 0.14 237.1715088 0.24 242.1790924 0.03 244.1115265 1.63 253.4598541 0.28 255.5992126 0.11 257.2588196 0.10 258.0850830 0.11 261.3799133 0.04 265.7812500 0.08 274.4344788 0.03 275.2315063 0.11 277.0156250 0.11 279.5231934 0.18 280.2267456 0.03 282.7234497 0.18 286.1156006 0.08 296.5672607 0.08 301.6732178 0.02 303.7927246 0.26 304.4873657 0.06 307.1723022 0.07 309.5286255 0.61 310.2818604 0.04 310.9834595 0.16 313.1328125 0.25 314.1079102 0.20 316.3740845 0.19 317.2700195 0.04 322.9725952 0.17 325.2655029 0.61 326.7460938 0.05 328.3633423 0.10 329.0422974 0.07 331.1892090 0.86 332.1934204 0.09 338.3829346 1.89 339.0834351 0.14 342.4172363 3.16 343.3329468 0.41 344.3186035 9.53 345.0163574 0.15 345.7091675 0.09 354.0926514 0.26 354.7023926 0.19 355.6160889 0.04 359.5023804 0.59 370.9790649 0.09 372.1852417 0.09 377.1842041 0.12 383.2060547 0.04 384.3898926 0.04 385.3192749 0.16 387.7093506 0.10 392.1085205 0.15 393.8658447 0.14 395.2941895 0.02 400.8825073 1.15 401.5979004 0.02 402.5399780 0.16 404.4044189 0.95 406.3933716 1.61 408.0364380 0.60 408.8572388 0.10 410.1161499 0.68 410.9187622 1.88 411.6113281 0.37 412.5297852 0.02 414.3011475 0.23 415.5151367 0.15 416.1585693 0.05 419.1097412 0.07 419.7687378 0.39 421.6859741 0.48 422.5317993 0.13 423.4200439 0.13 424.2943726 0.27 425.4629517 1.87 426.1273193 0.04 427.2982178 0.38 428.3031006 0.22 429.0344238 0.10 429.7045288 0.69 430.4312134 0.03 431.9129028 0.15 433.1310425 0.93 438.0176392 0.49 439.2418213 2.22 441.1979980 0.45 442.0891113 0.15 447.0408936 0.27 448.5989380 1.44 450.5987549 0.04 453.0484009 0.06 454.6259766 6.38 456.3084717 0.94 458.4569702 0.37 459.3908691 0.33 460.0867310 0.22 460.8909302 0.20 461.5014038 0.27 462.4026489 0.23 463.3475342 0.51 464.5055542 0.09 466.6572876 2.28 467.6134644 0.95 468.8053589 0.04 470.4556274 2.06 471.3057861 0.23 472.5250854 1.07 473.1551514 1.54 474.2520142 0.15 475.1625977 0.03 476.2662964 13.14 477.1274414 0.73 478.7971191 0.18 479.7780151 0.18 482.1070557 2.93 482.9432983 0.31 484.2077637 0.08 485.3427124 0.44 487.6738892 0.92 488.9752197 0.18 491.3788452 1.77 492.2071533 0.22 493.9158325 0.79 494.7870483 0.18 496.3726807 1.26 497.0159302 0.27 497.9078369 0.05 498.9501953 0.78 499.8048706 0.43 501.0109253 0.99 502.3173218 0.09 503.2995605 1.13 505.3523560 2.59 506.9819946 11.58 507.9660034 0.27 509.1587524 0.10 511.1520386 4.56 513.3802490 0.21 514.9087524 0.90 516.0296631 100.00 517.0530396 2.17 518.0806885 1.01 518.7645874 0.85 520.6454468 1.93 523.0232544 0.19 524.1815796 5.31 525.0991821 0.03 526.6018677 1.14 527.2173462 0.46 528.9130249 0.65 529.5272827 0.39 530.4849243 0.56 531.3965454 0.05 534.6963501 1.12 535.8311768 0.62 537.8822632 1.11 539.1264038 0.03 541.2280884 0.81 542.9778442 1.37 543.6154175 0.81 544.6293335 1.58 545.5923462 0.72 547.6382446 3.05 549.1756592 1.56 549.9550781 0.63 551.0822754 11.09 552.1112061 1.90 552.9874878 0.75 555.5722656 0.10 557.0942993 0.10 561.0653687 0.31 562.3275757 0.11 563.3922729 0.06 564.7931519 0.11 571.0534668 0.79 573.0903931 0.15 574.8878174 1.13 575.9210815 0.47 577.1152954 4.61 577.8429565 0.04 578.9373169 0.20 580.1760864 4.60 580.8612671 3.36 582.9099121 8.62 583.9821167 0.39 584.6386108 1.42 586.3628540 10.68 587.2984009 0.96 589.3615112 0.18 590.9524536 0.16 592.3126831 10.42 593.2626343 0.86 594.3707275 0.81 595.5568848 0.15 596.6104126 1.02 597.5092163 0.21 598.4072876 0.12 599.7644653 0.68 600.8787231 0.97 603.4263916 0.10 605.7664795 0.70 606.5134277 0.37 607.4501953 0.20 609.0646973 8.66 610.1207886 0.70 612.0053101 1.49 614.4650269 7.78 615.1469116 6.38 616.8194580 2.12 617.5999146 0.05 619.5164795 0.15 621.9235229 0.18 622.8811646 0.02 624.4799194 0.67 625.2700806 0.09 626.4293823 0.11 628.6514282 1.65 629.6013794 0.47 630.4379883 0.24 632.0258179 0.19 633.4479980 0.13 635.8494873 1.02 637.6527710 15.60 638.8109131 3.49 640.8861694 2.03 641.8513794 0.13 643.3776855 2.17 644.3549194 1.02 644.9656372 3.21 645.9348755 0.02 647.8726807 5.98 648.8954468 3.36 649.6985474 2.60 650.7274780 0.11 653.2487183 0.40 655.2793579 0.08 658.1346436 7.16 658.9887695 0.48 659.6024780 0.04 660.7473755 0.15 661.6350708 0.40 662.2990723 0.78 663.3970337 0.96 666.4898682 0.22 667.4908447 0.89 669.1259155 1.51 669.9374390 0.70 670.5773926 0.37 672.0822144 3.89 673.0511475 0.99 673.7712402 0.13 676.7013550 5.12 677.5856323 0.64 678.5344849 0.29 681.1342773 37.82 682.0115356 2.26 683.9126587 0.41 684.7322388 0.28 686.2725830 0.34 690.8731689 0.39 691.5523071 0.05 692.5539551 0.08 693.4973145 0.51 695.0678711 0.23 700.3745728 0.21 704.1160278 0.12 705.5321655 0.59 706.5400391 0.11 707.4478149 0.12 709.1457520 0.29 711.6491699 0.06 713.8966675 2.23 714.6669922 0.78 715.3955688 0.07 717.1843262 0.57 718.2899170 0.92 719.1426392 0.34 720.9369507 0.09 722.7711792 15.80 723.9031982 0.53 724.7238159 0.04 725.8031006 0.11 726.7821655 0.12 727.8063965 0.05 729.1922607 0.22 730.8573608 0.17 734.4203491 0.49 736.7278442 0.95 737.4177856 0.31 741.2205200 0.09 742.6932373 0.11 745.0067139 0.58 745.7055664 2.40 746.6339111 0.93 748.2380981 0.38 751.6771851 0.16 753.6925659 0.11 757.1788330 2.87 758.2649536 0.55 759.3700562 0.12 761.5269165 0.34 762.2052002 0.18 762.9995728 0.69 764.7384033 0.25 766.2485962 9.39 767.2014160 0.79 768.3082275 0.19 769.6276855 0.27 770.3355103 0.18 771.2003784 0.07 772.4842529 0.94 773.3941650 2.28 774.1653442 0.19 774.8640747 0.47 776.9238892 1.47 778.0327759 0.76 779.2499390 1.29 780.3994751 0.10 781.5602417 0.28 785.8208618 16.57 786.7811279 1.10 788.2018433 0.32 789.3690796 1.62 790.4479370 0.92 793.4523926 0.17 794.5040894 22.80 795.1411133 22.22 796.4118042 0.77 797.6755981 0.17 798.5311279 0.11 801.4453735 0.47 803.6187134 0.22 805.3760986 0.38 807.3523560 0.26 811.5087280 0.17 812.2723389 0.03 814.5395508 1.14 815.4971313 0.21 816.9581909 0.36 817.9226685 1.36 819.1315918 0.05 821.6082153 0.07 822.4786987 0.13 823.5966797 0.64 825.3529663 0.06 827.6025391 0.50 829.7673950 0.07 836.9998169 0.25 837.7197266 0.14 845.7545776 0.83 846.8858032 0.13 847.5834961 0.03 849.3100586 0.23 854.3309937 0.19 856.5481567 0.04 863.6707153 0.09 864.7962036 0.06 869.5855103 0.17 870.5444946 0.81 871.2136841 0.19 871.8876953 0.07 873.7953491 0.58 877.3839722 0.19 878.8205566 2.67 879.6938477 0.91 880.5805054 0.11 884.5951538 0.16 885.6228027 0.29 886.5158691 0.07 887.8654175 6.13 888.7794800 0.68 901.1784058 0.30 906.2238159 0.05 917.0937500 0.11 919.5885620 0.03 921.5703735 0.20 928.6416016 0.16 933.6479492 0.40 936.2587280 0.22 937.1142578 0.43 957.3786011 0.22 958.0585327 0.23 959.2539062 0.07 971.0244751 0.03 973.2970581 0.14 974.6668091 0.41 979.6091919 0.38 980.7155762 0.07 985.0320435 0.02 999.9136353 0.21 1001.6865840 0.08 1007.3474730 0.13 1008.4653930 0.08 1010.1246950 0.07 1030.6271970 0.64 1040.5600590 0.08 1043.6474610 0.45 1056.6652830 0.16 1057.7702640 0.12 1061.2899170 0.12 1072.6619870 0.12 1073.8101810 0.05 1074.9108890 0.04 1076.9782710 0.09 1082.7812500 0.13 1085.6427000 0.22 1090.9377440 0.29 1091.9952390 0.07 1097.7136230 0.12 1100.7999270 0.07 1101.5588380 0.17 1102.7602540 0.43 1109.6550290 0.13 1111.7913820 0.03 1118.5532230 0.52 1119.5927730 0.38 1136.8128660 0.03 1144.5632320 0.06 1145.6236570 0.18 1148.5229490 0.19 1161.7678220 0.06 1174.1794430 0.29 1179.9986570 0.04 1190.0971680 0.19 1190.8253170 0.33 1202.7342530 0.12 1212.0600590 0.21 1215.9357910 0.17 1218.6440430 0.27 1222.7840580 0.14 1228.8004150 0.03 1229.9899900 0.15 1237.7244870 0.10 1245.5644530 0.11 1246.7048340 0.54 1247.7918700 0.58 1260.0029300 0.10 1276.6862790 0.15 1278.5510250 0.07 1296.1328120 0.11 1325.5279540 0.12 1327.0136720 0.40 1343.1741940 0.21 1359.7989500 0.17 1360.9498290 0.16 1433.0057370 0.20 1434.2615970 0.21 1436.0189210 0.07 1470.7105710 0.06 1483.6666260 0.05 1489.8918460 0.08 1740.3197020 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 845.2138 Annotation Spinacetin 3-(2''-feruloylgentiobioside) Peak:m/z Relative Intensity 241.3899384 0.39 242.1809082 0.43 257.2177734 2.23 257.9645386 0.67 259.0339050 0.44 260.2149048 0.37 261.0931091 0.08 265.4302673 0.27 267.8573608 0.27 269.1033630 0.14 270.1645203 0.55 284.1007996 0.11 285.0411377 0.72 286.1349487 2.61 287.0539856 8.83 288.1441345 5.80 289.1569824 0.27 296.0282593 0.14 299.2324829 0.24 300.3110352 0.21 301.0680542 2.09 302.2462463 2.96 303.0929565 2.10 304.0747070 0.31 313.1659546 0.50 315.1378784 0.38 317.5357971 0.46 318.3432922 0.25 330.1491699 6.94 331.2099915 6.51 332.2633972 0.43 337.4075317 0.59 338.0308228 1.12 345.1235046 61.94 346.1689758 47.29 347.2386780 5.16 359.0818481 0.13 360.1963196 1.26 382.2307739 0.08 383.0585327 1.08 384.3892822 1.35 387.0214844 0.09 388.3538208 0.77 397.4438477 1.33 398.3146973 0.98 399.4971924 0.20 422.1133423 0.69 425.1802368 0.50 474.2734375 0.22 485.4019775 8.09 486.2400513 7.21 487.1744995 3.07 499.2117310 31.76 500.2209473 32.43 501.2993164 7.10 562.0676880 0.17 637.5992432 0.59 651.3286743 3.98 652.3262939 15.97 653.3004761 4.29 666.4835815 0.93 669.2841187 43.92 670.2543335 100.00 671.3113403 21.31 683.2732544 1.75 684.2999878 4.40 685.3275146 1.76 803.2581177 0.43 831.1586304 0.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 616.9 Annotation Unknow Peak:m/z Relative Intensity 200.1173706 0.14 228.9030457 0.20 229.9176331 0.27 231.1497650 0.27 244.9495850 0.03 273.0761108 8.26 274.0695801 4.69 275.0376282 2.89 345.4152832 0.04 386.9803467 14.96 388.0244141 13.57 389.0357056 12.36 390.1371460 0.03 427.2920532 0.05 499.2395630 0.17 500.9493408 46.32 501.9919434 96.04 502.9447632 100.00 542.3925171 0.08 570.1188965 0.31 571.0822754 0.36 571.9039917 0.41 572.9087524 0.54 574.2252808 0.23 588.6348267 0.46 591.1438599 0.02 607.1002197 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 963.2399 Annotation Quercetin 3-(6''''-ferulylsophorotrioside) Peak:m/z Relative Intensity 269.1546936 0.03 285.4179382 0.09 287.1913452 0.36 288.1887817 0.13 296.2415161 0.03 298.2181396 0.10 303.1122437 0.06 311.2048645 0.01 312.0783386 0.04 313.1848145 0.08 315.0954590 0.25 316.2197571 0.54 317.0355225 0.09 327.3576355 0.07 328.1301575 0.02 329.1349182 0.19 330.2141724 1.46 331.1538086 1.75 332.3172302 0.13 336.8763733 0.03 341.2679443 0.05 342.3293152 0.02 343.9693298 0.03 345.1073914 0.22 346.1494141 0.04 353.3265991 0.06 355.2306519 0.13 356.2379150 0.06 357.3828735 0.02 358.3744507 0.09 359.1696472 0.12 361.0402527 0.02 367.4782715 0.03 368.3892822 0.11 369.4854126 0.03 372.0771484 0.27 373.2290039 0.42 374.1533508 0.15 374.8796692 0.02 377.3569031 0.06 378.2352295 0.03 383.2931213 0.20 384.2223511 0.08 385.1931152 0.02 387.3407593 0.02 388.3905029 0.02 395.2208862 0.02 397.3115540 0.16 398.2698364 0.07 403.1909790 0.15 407.2612305 0.05 409.2686157 0.03 413.0433960 0.10 416.2165833 0.02 418.2726746 0.05 424.7022705 0.09 426.3748779 0.04 439.2119751 0.05 454.4747314 0.03 455.3215332 0.03 456.6015625 0.06 457.2658691 0.07 465.2359619 0.06 475.4630127 0.02 480.3916016 0.01 485.3680420 0.53 486.2533569 0.11 487.1005249 0.12 493.3749390 0.08 505.2929688 0.78 506.3115234 0.07 509.2396240 0.03 519.4943848 0.09 527.3899536 0.28 559.6809082 0.01 577.2015991 0.03 586.2015991 0.02 588.5374756 0.05 589.1791992 0.03 590.0623779 0.05 593.3774414 0.11 594.2603149 0.02 606.9761353 0.08 617.2357788 1.55 618.2631226 0.14 619.3234863 0.13 620.3294067 0.14 621.2310181 0.15 625.3086548 0.15 626.3996582 0.18 631.5321655 0.10 633.4227295 0.04 637.2977905 0.60 638.3062134 0.23 639.3876343 0.05 652.1007080 0.10 655.3276367 0.83 656.2432861 0.19 657.2531128 0.03 669.4794312 0.09 670.3150024 0.06 671.5246582 0.01 675.4880371 0.02 679.2212524 0.04 694.6487427 0.03 695.8107300 0.03 698.0481567 0.06 700.2578735 0.10 709.3353882 0.01 714.1621704 0.02 720.2064209 0.03 726.6555786 0.03 737.1680298 0.05 744.6757812 0.02 745.4650269 0.04 751.2428589 0.06 753.8314819 0.04 757.2089233 0.05 758.1732788 0.02 764.3752441 0.01 767.1088867 0.02 769.2529297 8.23 770.3530884 3.25 773.2686768 0.04 778.4230347 0.02 781.6076050 0.01 782.6203613 0.02 783.4303589 0.11 784.3928833 0.08 787.3186646 100.00 788.3290405 34.77 795.2423706 0.11 796.3965454 0.06 799.2903442 0.04 801.2690430 11.24 802.3670044 4.59 813.2641602 0.99 814.3162231 0.35 816.5881958 0.09 829.9092407 0.04 831.2974854 3.14 832.1857910 1.43 833.4635620 0.02 842.2470093 0.06 873.3867798 0.18 886.6171265 0.02 887.4317627 0.08 888.3948364 0.04 892.3223877 0.01 896.2910156 0.09 904.3799438 0.04 919.1995239 0.07 920.5437622 0.10 932.6290283 0.05 935.2941284 0.01 945.2764282 0.22 946.1096802 0.09 948.3173218 0.64 949.5131836 0.28 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 408.6878 Annotation Unknow Peak:m/z Relative Intensity 117.9967651 3.00 119.1222610 0.29 120.9619293 0.23 126.7761765 0.06 129.1632996 0.10 133.0006866 0.10 136.3037415 0.19 143.1970367 0.15 145.3217926 0.06 165.1157990 0.18 169.1183472 0.03 173.1996155 0.15 183.0478363 0.04 186.4031982 0.29 189.1905212 0.06 190.2774963 0.19 191.0497437 0.06 196.9314575 0.04 197.9902649 0.13 201.1095734 0.10 202.4418945 0.11 203.5156555 0.08 208.9736786 0.07 210.2270660 0.25 215.4325562 0.11 219.0829163 0.15 222.9370880 0.43 224.3005981 0.10 227.8098145 0.17 231.0810242 0.25 235.3433228 0.21 236.2309265 0.05 239.2045898 0.15 239.9832764 0.06 246.5751038 2.96 247.1873779 0.67 248.3524475 0.32 251.0684509 0.39 252.5994263 0.07 261.0121460 0.18 264.1657715 0.70 265.2418823 0.20 266.5644531 0.41 267.5462646 0.04 268.5395203 0.61 269.3016357 0.19 272.4467163 0.16 275.1543579 0.27 279.1021118 0.21 279.8861084 0.32 281.0974426 0.97 282.2843323 0.25 285.1749878 0.15 286.2666931 0.15 288.4604797 0.16 291.2777100 0.46 292.9385376 0.17 294.5278015 0.05 296.0374756 0.44 305.7770081 0.09 308.3635864 0.07 309.4705811 0.50 310.2499390 0.18 311.3790894 0.31 318.0570679 0.21 320.3752747 0.03 324.1480103 0.12 325.3865051 0.17 327.4127197 0.89 328.5898438 0.15 330.7774658 0.09 336.3759155 94.55 338.4760132 0.10 346.8387146 0.11 349.3454590 0.23 351.4853516 0.15 355.1359863 0.05 356.6535034 0.09 362.0546570 0.07 362.7924805 0.35 363.4857788 0.26 364.4318237 0.26 365.1607056 0.14 366.2066650 0.05 367.5168762 0.24 368.4556274 0.12 369.2155457 0.10 372.3900452 0.27 376.3279724 0.39 380.4112244 0.34 385.6634216 50.46 386.3135986 9.22 387.8602905 1.53 388.8856812 0.98 390.1982117 2.04 391.1783142 3.08 392.1031494 0.12 396.5572205 0.15 397.6033630 0.30 398.4653625 0.09 399.5589905 4.02 400.3811340 10.37 401.2890320 0.61 405.7373962 0.07 410.4429626 0.16 432.4663391 0.35 444.6247253 0.04 449.2500916 0.28 450.2156067 0.37 455.2187195 0.21 456.9111938 0.14 475.1565552 0.13 492.4626770 2.22 509.2535706 0.52 519.5273438 0.45 522.2945557 0.12 536.4580688 1.31 568.3268433 0.19 572.6136475 0.59 575.2728271 0.37 581.2823486 0.14 634.2120972 0.06 654.2289429 0.39 654.8925171 0.06 656.1828003 0.66 657.8397827 0.09 671.4169922 100.00 672.4151001 17.66 673.1276245 0.15 683.7906494 0.36 684.7592163 0.09 705.1026611 0.39 717.4780884 0.18 718.6521606 0.08 728.5870972 0.11 729.2827148 0.18 756.3653564 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 518.7358 Annotation Unknow Peak:m/z Relative Intensity 155.9294586 0.06 181.0378265 0.06 185.0230560 0.02 188.0415192 0.12 205.1324463 0.07 210.0825806 0.01 219.1546936 0.03 225.1720886 0.02 229.0084839 0.08 235.1847229 0.04 241.9970856 0.02 250.9319153 0.03 254.3141785 0.05 258.1240540 0.06 267.2445374 0.05 268.3571167 0.21 270.5311279 0.02 273.1683655 0.09 279.0585327 0.02 281.0529175 0.19 282.3715820 0.43 283.2302856 0.18 286.6121216 0.01 296.9899902 0.02 305.3091431 0.11 307.4724731 0.09 312.4929810 0.04 316.3396606 0.08 322.9376831 0.08 323.5913086 0.06 325.8176270 0.03 326.4261475 0.03 329.1413574 0.07 333.7532349 0.19 334.4376221 0.05 339.1765747 0.08 341.9113159 0.10 345.0949707 0.19 348.3874512 0.12 352.5997314 0.22 355.5413208 0.04 356.3053589 0.11 357.3433228 0.14 368.4116821 0.02 372.4709473 0.07 375.3613281 0.02 379.2360229 0.14 380.8018799 0.12 383.3067017 0.08 384.1812744 0.11 387.2691040 0.10 388.2624512 0.09 389.0407104 0.17 390.5458984 0.05 391.1644897 0.02 394.7261963 0.05 397.4387817 0.10 399.2095337 0.05 400.3265991 0.18 403.2416382 0.07 406.2740479 0.15 407.6352539 0.08 409.8117676 0.04 413.1338501 0.05 414.5517578 2.16 415.3004150 0.72 415.9345703 0.53 417.1719971 0.29 420.8145752 0.05 422.3024292 0.05 423.6181030 0.14 425.0754395 0.18 425.8681030 0.08 427.3494263 0.14 428.5775757 3.41 429.6803589 0.31 430.7893677 0.05 432.4375610 3.90 433.5208130 0.52 434.6766357 0.02 437.9544678 4.69 438.8895874 0.55 439.5245972 0.08 444.3889160 0.05 446.4628906 66.15 447.3650513 5.62 448.5955811 0.33 449.4830933 0.06 451.4318237 0.83 452.6798096 0.22 455.2711182 1.45 455.8935547 0.88 457.0770874 0.36 458.3427124 0.21 459.1999512 0.03 460.4566040 100.00 461.3743896 7.70 462.3405151 0.09 463.7562866 0.19 464.5787354 0.42 465.4296265 0.25 466.3385010 0.10 466.9763184 0.09 469.3104858 32.57 470.0020752 13.67 471.2805176 0.82 472.3340454 0.13 472.9919434 0.09 474.3067017 0.15 475.2750244 0.08 476.4320068 0.02 477.7161865 1.03 478.4344482 0.72 479.4273071 0.15 482.4027100 0.12 483.2639771 0.30 487.0622559 22.02 487.9834595 2.78 491.4838257 0.01 494.3356323 0.34 495.8215942 8.46 496.5894165 6.98 498.1957397 0.05 499.3475952 0.21 500.7317505 0.57 501.4589233 0.69 502.3726807 0.31 505.0073853 2.69 505.9099731 0.56 509.9912720 24.24 510.8327637 2.47 511.5747681 0.67 512.3662720 0.05 518.5193481 0.52 519.1761475 0.01 530.5374146 0.02 548.7451782 0.02 554.1623535 0.26 566.3476562 1.01 567.5354614 0.06 569.4736938 0.07 573.5103149 0.02 576.6879272 0.17 583.5555420 0.29 586.5494995 0.04 595.6519775 0.13 603.4906616 0.02 607.2560425 0.04 614.3098755 0.02 616.4886475 0.05 621.4476929 0.07 630.5875244 0.32 632.5776367 0.03 636.4863892 0.18 637.2445679 0.15 643.4801025 0.10 644.5488892 0.19 656.2718506 0.08 662.2794800 0.14 664.1498413 0.05 666.5982056 0.03 670.1898193 0.12 677.3890991 0.08 690.5075073 0.01 695.3001709 0.03 697.2422485 0.04 700.8339844 0.16 711.4902344 0.07 712.5349731 0.02 719.3815918 0.03 724.3746338 0.03 726.3600464 0.01 729.5396118 0.13 742.9168091 0.01 753.0467529 0.09 754.4321899 0.06 755.2129517 0.02 756.4324951 0.03 762.6835938 0.04 764.2236938 0.08 775.5485229 0.04 776.3331299 0.06 782.5609741 0.02 795.5520020 0.02 799.8762207 0.05 813.5732422 0.03 820.6047974 0.02 825.1835938 0.04 827.4740601 0.10 828.1038208 0.04 831.8754272 0.17 852.4565430 0.06 855.3930664 0.02 858.8493652 0.03 861.0757446 0.02 873.7490845 0.03 874.6999512 0.24 876.2240601 0.08 885.5714722 0.02 887.3766479 0.16 888.3731079 0.11 889.5305786 0.06 900.3420410 0.02 919.3381958 0.29 920.5388794 0.30 921.7778931 0.15 927.8255005 0.07 928.5844727 0.03 937.2916870 0.33 938.5117798 0.27 939.4935913 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1155.8342 Annotation Unknow Peak:m/z Relative Intensity 337.1994019 0.88 365.3016357 0.37 367.2430725 0.25 375.4369812 0.27 377.2796631 0.57 380.2304077 0.56 382.2855835 0.93 397.3381042 0.74 406.4456482 0.49 417.9244995 0.28 419.1792603 0.59 420.3911438 0.20 422.0914917 0.34 436.5449524 3.70 442.8977051 0.22 446.0767517 0.63 464.3917236 15.64 465.3736572 0.36 470.0755005 0.36 476.0460205 0.36 481.2833557 0.62 499.3441772 0.27 503.5747986 0.60 515.2828369 0.49 519.5753174 0.37 521.5172119 1.60 528.3381348 0.95 532.1817627 0.21 555.3696289 0.49 560.3598633 0.45 562.8481445 1.22 578.4985352 1.46 579.9522705 1.89 584.6792603 1.31 586.2720947 0.28 595.7094727 0.68 620.2329102 1.01 624.1157227 0.32 634.2568359 0.68 638.1596680 0.36 639.3104248 0.13 640.1635742 0.46 646.8261719 1.16 648.4884033 0.18 649.5831299 1.26 650.5649414 0.18 654.4813843 0.58 655.5150146 0.42 659.2244873 1.10 667.4447632 0.52 669.2726440 0.66 670.3067627 1.07 677.3814087 13.27 678.0623169 1.58 678.6955566 5.38 681.1384888 0.14 691.4837646 0.26 694.4237061 0.36 700.1481934 1.09 710.5045166 0.72 715.5113525 0.37 722.1329956 0.82 746.0046387 0.19 747.6064453 1.36 749.4606934 0.37 767.5794678 1.10 772.3948975 0.62 774.8786621 0.57 792.6981201 0.69 794.5816650 0.52 798.6158447 0.38 805.4213867 0.78 810.4360962 0.55 812.3197632 1.41 818.9481201 0.55 822.6494141 0.45 823.4138184 1.10 830.9427490 0.16 833.1252441 0.77 835.4868164 1.75 838.3056641 0.59 845.3963623 2.33 851.0290527 0.88 858.9281006 0.44 868.3366699 0.39 870.5584717 1.32 879.7163086 2.12 886.4757080 1.96 895.4296875 0.32 903.0017090 0.25 906.1383057 2.08 916.4084473 0.40 921.2327881 1.78 922.5322266 1.05 929.9888916 0.56 931.6614990 0.72 935.2277832 2.28 936.1170654 0.58 943.8599854 0.63 945.8323975 3.26 947.7944336 2.17 949.8381348 1.85 951.1070557 1.88 955.2508545 1.99 959.8927002 0.22 962.9692383 3.21 964.6475830 0.58 966.4571533 2.04 967.0968018 0.22 968.0351562 0.30 968.8382568 2.51 970.0568848 0.23 971.4533691 2.11 974.0057373 4.22 975.9953613 1.15 976.8099365 0.80 977.5114746 1.87 978.4680176 0.59 979.4571533 2.04 986.3522949 2.67 988.0617676 1.15 988.8217773 1.07 992.4375000 0.54 995.0217285 0.28 997.1475830 0.53 998.0068359 2.19 1000.0301510 1.38 1000.6567380 2.49 1001.7482910 3.72 1003.7248540 4.93 1005.0332030 2.79 1006.6309810 1.20 1007.6910400 2.32 1008.8328860 0.86 1009.9154050 0.33 1011.3637700 5.17 1012.6440430 4.56 1013.8240970 2.34 1015.1125490 0.71 1015.8437500 0.86 1017.3684080 2.77 1018.2048340 2.94 1019.1337890 0.67 1022.4583740 2.40 1023.5345460 2.21 1026.0434570 0.96 1028.6784670 1.71 1029.4852290 5.36 1030.1196290 1.64 1031.7333980 5.26 1032.9299320 0.79 1034.5319820 7.58 1035.6354980 7.83 1036.8858640 6.84 1037.8916020 5.11 1041.1022950 12.71 1041.9653320 5.10 1043.2700200 1.90 1044.8964840 3.70 1045.8239750 2.98 1046.8347170 3.36 1048.8122560 0.65 1049.9415280 10.43 1050.7873540 5.23 1051.4616700 3.19 1052.2487790 1.52 1052.8901370 4.47 1053.5765380 0.83 1054.5059810 6.33 1055.1574710 1.01 1056.3432620 10.80 1057.3179930 2.96 1058.2177730 5.47 1059.3664550 2.30 1060.1867680 5.08 1061.0451660 6.48 1061.7644040 3.00 1063.3731690 1.83 1064.7564700 16.83 1065.8911130 6.87 1066.8269040 1.02 1067.6535640 3.03 1068.4963380 3.75 1069.3894040 9.22 1070.5124510 7.28 1071.2268070 1.49 1074.0605470 8.96 1075.1444090 1.72 1076.4858400 2.78 1077.6781010 7.41 1078.8006590 12.98 1079.9672850 11.43 1080.7447510 6.23 1082.1508790 9.84 1083.0871580 3.70 1084.1807860 17.29 1085.3342290 6.15 1085.9365230 5.04 1087.3535160 6.96 1087.9548340 31.54 1088.7148440 5.73 1089.9913330 7.20 1091.0959470 5.06 1092.0528560 6.64 1093.1684570 20.41 1093.8608400 72.88 1094.6535640 14.26 1095.4350590 0.73 1097.1781010 16.70 1097.9477540 1.55 1099.6560060 19.23 1100.6300050 5.66 1101.6186520 15.77 1102.8154300 15.78 1103.6704100 11.70 1104.6458740 0.74 1106.2189940 7.41 1107.2573240 19.51 1108.1696780 17.45 1108.8741460 2.90 1109.6846920 7.35 1111.3352050 30.84 1112.2785640 21.95 1113.4770510 5.38 1114.1584470 14.89 1115.0896000 10.68 1116.0068360 3.91 1116.9390870 26.32 1117.5491940 75.46 1118.2556150 21.25 1118.9688720 15.05 1120.8439940 54.52 1122.9033200 83.16 1123.6102290 100.00 1124.6296390 5.77 1126.3760990 92.54 1127.0549320 74.69 1128.3569340 2.10 1129.2387700 0.18 1130.1143800 10.94 1131.4790040 4.46 1132.4075930 14.40 1133.3206790 2.77 1135.2452390 21.63 1136.0390620 13.22 1136.6834720 1.75 1137.9390870 13.14 1139.1046140 11.37 1140.6740720 25.35 1141.5964360 79.92 1144.2717290 8.44 1144.9392090 40.83 1147.2214360 1.43 1164.1629640 0.60 1164.7717290 0.59 1166.8874510 0.58 1170.0927730 1.51 1172.0449220 1.82 1174.8925780 1.55 1177.8112790 1.99 1187.0704350 0.77 1191.8200680 0.73 1197.8079830 0.88 1199.0190430 0.89 1199.9500730 1.62 1203.6483150 0.16 1205.5776370 2.01 1209.2484130 2.80 1210.1567380 1.13 1211.9923100 0.34 1213.5749510 0.87 1218.1739500 0.37 1220.4058840 3.07 1222.7873540 0.47 1224.4987790 0.41 1225.8332520 1.48 1228.5269780 0.42 1229.1445310 1.40 1230.5285640 0.88 1231.5693360 0.64 1232.3009030 0.74 1233.9763180 5.34 1236.0162350 1.12 1236.7464600 0.23 1238.5200200 1.34 1239.5672610 0.30 1243.7048340 0.42 1245.3723140 2.70 1247.6062010 2.47 1256.0678710 1.17 1258.2978520 4.55 1258.9963380 1.89 1260.3044430 0.80 1262.8157960 2.59 1264.3843990 2.71 1266.5600590 0.53 1267.4604490 2.63 1268.7917480 1.72 1272.5676270 0.59 1273.5595700 1.75 1274.2889400 0.33 1275.6174320 0.54 1277.9760740 0.90 1279.0966800 0.94 1282.2648930 1.09 1283.1406250 2.86 1284.2434080 0.81 1288.3419190 0.74 1289.4033200 0.73 1291.2031250 1.64 1292.9094240 1.14 1293.6906740 1.33 1294.8546140 1.40 1296.9125980 1.14 1297.6464840 0.72 1303.0206300 1.38 1304.0402830 0.94 1305.4309080 1.24 1310.2119140 3.56 1313.8601070 0.91 1314.9362790 0.21 1315.7827150 1.15 1317.2143550 0.89 1318.3939210 2.84 1320.7048340 0.62 1321.9067380 3.38 1324.8076170 1.29 1328.3099370 2.02 1330.6964110 1.86 1334.8204350 0.86 1336.8902590 3.04 1337.5963130 1.75 1338.9512940 0.47 1340.0323490 0.86 1341.6352540 0.66 1342.5247800 0.16 1344.0563960 1.04 1344.8837890 6.05 1346.2965090 7.78 1348.2827150 0.58 1350.4439700 1.16 1351.0648190 2.63 1353.3260500 0.40 1356.4959720 0.64 1357.3050540 1.27 1358.7520750 0.39 1360.3084720 1.45 1361.4002690 2.61 1363.8328860 0.32 1364.6180420 2.04 1365.3247070 0.93 1366.5549320 1.25 1369.3394780 0.39 1370.7965090 1.70 1374.1663820 1.09 1376.6447750 4.72 1377.5650630 0.57 1378.7175290 2.11 1379.6239010 0.16 1380.2330320 0.87 1381.6260990 1.49 1383.0980220 1.05 1385.8267820 1.50 1386.5413820 6.42 1387.5118410 8.75 1388.6759030 0.71 1391.1887210 0.74 1395.4512940 27.12 1396.2791750 12.66 1399.1811520 1.52 1400.0794680 4.61 1401.6693120 0.28 1404.0568850 0.30 1406.5837400 3.77 1408.3083500 2.41 1409.4968260 0.52 1414.6009520 1.31 1416.4871830 0.73 1417.8101810 3.26 1420.0661620 3.01 1423.9703370 2.12 1424.8116460 0.18 1425.5848390 0.23 1426.4406740 2.54 1427.2584230 1.47 1428.9973140 3.15 1430.2242430 0.47 1431.7449950 2.10 1433.7363280 2.70 1435.5545650 0.72 1436.3238530 1.35 1437.7659910 0.41 1439.4520260 0.94 1440.3441160 2.01 1443.7384030 2.09 1444.9293210 7.55 1445.5975340 0.94 1449.1246340 2.20 1450.3306880 2.60 1452.8043210 10.92 1453.6705320 3.19 1456.8651120 0.40 1458.4691160 10.56 1462.9422610 1.76 1465.0838620 8.33 1466.1431880 4.92 1467.2744140 1.89 1467.9638670 2.26 1468.8547360 1.08 1469.4810790 1.51 1470.5406490 3.19 1471.2219240 1.16 1473.0883790 10.79 1474.4401860 3.33 1475.7642820 3.45 1477.1744380 0.40 1479.7889400 0.55 1480.7696530 2.58 1481.5267330 0.57 1484.0178220 4.52 1484.9305420 3.70 1486.0715330 1.61 1486.7514650 2.59 1487.6789550 1.77 1489.2081300 2.13 1490.4804690 1.54 1491.1798100 0.69 1493.3577880 10.57 1494.2196040 6.57 1495.7355960 0.87 1496.4565430 1.20 1497.7724610 1.14 1499.4493410 4.63 1501.5452880 6.28 1502.2702640 41.04 1503.3338620 7.90 1504.1101070 1.26 1505.0246580 0.37 1505.9202880 2.19 1506.7928470 1.82 1507.6192630 0.38 1508.3918460 0.24 1510.2735600 0.84 1511.9196780 2.97 1513.5220950 1.98 1515.1228030 1.51 1517.1966550 0.77 1518.1008300 2.68 1518.7315670 2.63 1521.2452390 9.89 1522.1505130 2.37 1524.0601810 3.21 1525.2213130 2.71 1526.3280030 6.00 1527.2363280 1.16 1529.1571040 0.99 1530.0357670 3.61 1531.2641600 1.22 1532.2829590 1.08 1534.9146730 1.42 1536.1998290 3.13 1537.9813230 0.42 1538.8958740 6.23 1541.9182130 3.29 1542.5992430 1.83 1543.3062740 0.51 1545.8457030 1.12 1546.4835210 0.93 1548.0831300 3.46 1550.3109130 3.24 1551.5604250 16.52 1552.4036870 3.89 1553.3101810 0.21 1554.4620360 3.49 1556.4542240 2.04 1557.2110600 2.52 1558.2689210 1.01 1559.3426510 0.55 1561.0538330 2.42 1561.8502200 0.86 1562.4927980 3.12 1563.2011720 1.32 1563.8189700 0.27 1565.9595950 0.94 1567.8724370 1.32 1570.6322020 11.36 1572.9820560 0.93 1573.6739500 0.94 1574.6861570 0.28 1575.7923580 0.45 1576.5085450 1.81 1577.5845950 1.11 1578.7547610 1.84 1579.6966550 0.78 1582.0363770 4.36 1583.7315670 2.03 1584.5271000 1.88 1585.7247310 1.83 1587.0521240 1.80 1589.9329830 2.29 1590.8305660 3.78 1591.9510500 3.02 1594.0006100 1.19 1595.0941160 2.88 1596.3936770 5.30 1598.8912350 1.99 1599.5783690 0.57 1600.9865720 0.83 1602.2161870 2.90 1604.4136960 4.72 1605.2174070 4.78 1606.2419430 2.15 1607.1997070 0.47 1608.4580080 1.91 1611.2171630 5.61 1611.9089360 1.83 1613.2532960 1.29 1614.1807860 0.95 1614.9132080 3.80 1615.6905520 0.71 1617.0279540 1.40 1618.3665770 0.90 1619.0491940 1.58 1619.7884520 1.94 1621.1456300 2.99 1622.4302980 4.10 1626.8404540 4.46 1627.8759770 4.97 1629.0095210 1.99 1630.2441410 0.31 1631.2636720 4.80 1632.0152590 2.89 1633.0653080 2.70 1635.1884770 1.23 1636.0070800 3.56 1636.9693600 0.81 1637.8707280 1.58 1639.2626950 11.91 1640.1456300 19.79 1640.8907470 14.88 1642.4860840 1.43 1643.7606200 1.61 1644.4993900 1.54 1647.1577150 0.93 1648.7199710 1.57 1651.2938230 1.77 1652.3898930 1.30 1653.1398930 0.65 1654.2869870 0.62 1654.9147950 1.49 1660.0737300 4.68 1660.9002690 2.34 1661.7006840 1.81 1666.2989500 0.56 1667.4261470 1.11 1669.4619140 1.20 1670.4849850 0.46 1671.4107670 0.84 1675.4898680 9.89 1676.8553470 0.30 1680.7722170 0.33 1682.9600830 0.19 1684.2443850 11.31 1685.5562740 2.39 1687.1984860 0.44 1689.6359860 1.05 1696.5469970 0.16 1706.8489990 0.35 1708.7043460 0.32 1711.4207760 0.18 1742.6784670 0.23 1754.5020750 2.15 1764.1208500 0.98 1769.0773930 0.99 1772.5281980 0.69 1792.3800050 1.44 1808.7341310 0.30 1813.7443850 0.86 1831.8386230 0.73 1859.9777830 0.62 1877.8485110 1.73 1891.9987790 0.35 1894.5445560 0.37 1916.8382570 0.26 1923.6077880 1.53 1929.1431880 1.14 1934.0484620 0.45 1945.5533450 0.86 1947.6749270 0.18 1949.1864010 0.54 1972.2403560 1.26 1975.0845950 1.23 1993.3049320 0.88 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 787.1922 Annotation Myricetin 3-rutinoside-7-glucoside Peak:m/z Relative Intensity 229.1278229 0.71 229.7730255 0.46 240.1092834 0.41 241.0054016 0.53 242.0042114 0.68 243.2230530 1.10 244.0650482 0.89 245.4408417 1.09 258.1088562 0.45 259.0321655 4.13 266.3322754 0.49 269.0599365 0.65 270.2127686 2.27 271.2303162 0.76 274.0746460 1.05 281.1311035 1.37 281.8529053 0.61 283.3920898 0.33 285.0996094 1.24 286.0809326 1.53 287.1317139 7.79 288.0339966 10.10 295.3069763 0.28 298.0913391 0.23 299.1218567 0.31 300.9310303 0.48 303.1813660 6.46 308.1048584 0.75 309.2742004 0.36 311.1334229 1.65 312.9810181 0.23 315.0408936 29.85 316.1232910 23.21 317.2144470 0.85 324.4481201 0.54 326.2272949 0.43 327.0027466 0.47 329.2453003 4.37 330.1044922 100.00 331.1957397 88.96 332.2062988 1.49 339.1376648 0.51 340.1450806 3.40 341.0572815 1.88 342.2485962 0.31 343.0575867 0.18 343.8909302 1.92 353.3950806 0.28 355.1157837 4.84 357.1591187 0.80 358.2045898 4.63 361.2219238 0.28 367.3863525 0.96 368.1397095 0.50 370.2548218 0.16 371.3109131 0.73 372.1855469 1.48 373.2192993 36.62 379.1375122 1.64 380.9153442 0.46 382.0485840 0.54 383.1838989 0.94 385.1627197 2.99 395.4573975 0.60 396.5471191 1.37 397.3215332 2.34 401.2318115 1.27 403.1636353 3.69 415.2601318 1.33 420.8792114 0.31 424.2085571 0.14 427.1928711 0.93 433.0416260 1.56 439.3121338 2.25 440.3984375 0.67 446.8999023 0.18 455.3269043 0.36 457.1805420 2.55 461.1790771 3.33 481.2202148 2.35 489.2432251 0.71 490.0703125 1.38 491.2809448 0.36 492.1464233 0.70 495.3878174 0.18 505.1766968 25.09 513.3001709 0.70 514.0081177 1.01 515.7635498 0.49 520.4127808 0.80 523.2664185 1.10 529.1719971 0.84 549.4582520 0.39 560.1765747 0.41 561.3104858 2.05 565.2385864 1.58 575.3241577 0.35 577.4843140 1.95 578.5340576 3.30 587.1857910 0.51 588.0930786 0.80 591.3082275 0.26 592.5686646 0.34 593.3833618 1.91 595.5055542 0.58 601.5548096 0.80 609.2265015 0.73 611.5157471 0.24 619.1695557 3.17 622.0966797 3.74 623.0332031 0.70 624.0881958 0.23 625.2642212 6.24 631.7527466 1.36 637.3332520 52.60 638.5084229 1.49 639.4690552 0.77 640.2816162 0.94 654.7125854 2.45 655.3339233 90.83 656.5957031 1.30 670.3208618 0.69 697.3657837 2.05 715.3261108 1.44 726.2968140 0.82 727.4075317 1.65 741.1975098 1.27 743.3482666 0.77 744.3770142 0.36 751.5220337 0.37 754.3983154 0.63 756.1255493 0.94 769.3242188 6.17 772.2936401 21.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 677.21 Annotation Unknow Peak:m/z Relative Intensity 235.1958771 0.02 287.2763977 0.04 288.3619995 0.03 293.2773438 0.05 323.2071838 0.11 325.2524719 0.10 327.0862427 0.07 338.3433838 0.13 353.3922119 0.03 355.2131958 0.04 357.4022217 0.56 358.0370483 0.17 369.1729736 1.10 372.8131104 0.05 392.3401489 0.07 395.1916504 0.02 429.1932983 0.04 436.1447754 0.04 462.2697754 0.04 464.3740845 0.05 465.6580200 0.07 470.2263794 0.03 473.5173950 0.03 480.1132202 0.12 482.3348999 0.05 485.1220703 0.06 488.4179688 0.40 490.3839722 3.06 492.3807373 2.78 494.4262695 0.59 504.4611816 0.05 506.2508545 3.13 508.5681152 0.02 512.2020874 1.25 515.4337158 0.05 520.3289185 45.68 522.3255005 100.00 522.9508667 0.50 524.3021851 0.64 530.2813721 0.12 534.4055176 0.03 538.3203735 6.83 555.1287231 0.03 561.6610718 0.08 563.5898438 0.05 583.8088379 0.10 587.2684326 0.02 599.3168335 0.05 601.3349609 0.42 609.4213867 0.08 613.2986450 0.27 617.3079834 0.53 627.3432007 1.39 630.9339600 0.08 633.4651489 0.08 641.2943726 5.18 641.9346313 0.08 645.3005981 20.98 646.6476440 0.05 649.4913330 0.28 658.5413818 0.88 659.2915649 9.39 660.4188232 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 158.08 Annotation Tiglylglycine Peak:m/z Relative Intensity 69.9691315 0.83 73.7297516 0.03 83.1805267 0.05 84.1139679 0.08 90.0822907 0.08 95.0615540 0.01 96.2115326 0.09 102.1078339 0.17 106.8231354 1.05 110.1227875 0.08 111.9159088 84.66 114.0379181 0.03 116.0970306 1.69 116.9490662 4.48 120.9892731 0.05 125.5973358 0.07 129.8439484 0.12 139.9885864 100.00 141.1351929 0.21 142.9633942 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1037.6052 Annotation 11-O-Monomethylelaiophylin Peak:m/z Relative Intensity 302.8937683 0.08 316.2725830 0.43 322.7572632 0.21 330.0527954 0.29 331.0698242 2.21 335.1688538 0.11 368.9093323 0.06 504.7906494 0.06 516.3979492 0.05 531.1185913 0.10 557.1240234 0.29 573.1973877 0.64 581.3591919 0.09 609.4672852 0.05 625.1998901 0.23 637.1976929 0.40 655.1890259 0.92 687.5595093 0.13 697.3210449 0.06 705.2962646 1.75 705.9374390 0.05 723.4684448 0.28 731.4812622 0.05 763.6627197 0.09 769.2239380 2.07 787.2642822 100.00 788.3092041 0.78 813.2910156 0.06 827.3369141 0.11 829.5668945 0.22 843.3781738 0.09 845.3040771 0.13 861.3919678 0.15 882.4610596 0.51 887.1158447 0.13 891.3596191 0.17 895.5596924 1.03 905.5052490 2.34 919.2611084 0.08 947.4108887 1.01 950.8177490 0.10 972.6431885 0.08 975.3358154 1.71 977.3215332 3.13 978.0751953 0.13 993.6201172 0.44 1001.4346920 0.52 1005.6097410 0.06 1016.7158200 0.18 1017.7510990 0.17 1019.3767090 5.83 1022.4383540 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1139.3074 Annotation Tenuiphenone B Peak:m/z Relative Intensity 343.1774292 0.03 631.2875977 0.03 783.3309937 0.23 787.0859375 0.01 801.3240356 0.76 802.6878662 0.06 815.4289551 0.09 825.5618896 0.02 827.4278564 0.01 832.7833252 0.01 843.1618652 0.03 845.6499023 0.03 945.0462646 0.02 946.3361816 0.02 959.1201172 0.05 959.9920654 0.02 962.5139160 0.03 963.4210205 0.22 964.4031982 0.06 965.2720947 0.01 977.2645264 100.00 978.2404785 5.01 979.0069580 0.01 1001.3483890 0.38 1007.4486080 0.02 1019.3656010 1.09 1020.2260740 0.02 1031.6054690 0.08 1043.1845700 0.04 1048.9801030 0.04 1060.7875980 0.01 1094.9135740 0.01 1102.9833980 0.07 1103.6082760 0.01 1111.1521000 0.05 1121.2719730 0.25 1122.3110350 0.15 1124.4569090 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 374.81 Annotation Unknow Peak:m/z Relative Intensity 172.8934021 0.24 187.1586914 0.04 206.8899841 0.37 212.8723755 1.51 214.1458435 0.09 223.0981445 1.08 231.1623840 0.04 254.9735718 0.85 266.8504028 0.36 268.8585205 0.06 273.2617798 0.19 285.1105042 0.45 287.0131836 0.76 290.8021851 100.00 307.0343628 0.16 315.0159302 2.12 356.9010925 0.78 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 215.03 Annotation 2-C-Methyl-D-erythritol 4-phosphate Peak:m/z Relative Intensity 70.9561539 0.33 87.0378571 0.23 88.9341888 1.30 101.0218201 0.72 106.7525024 0.91 113.0117645 1.16 118.9513092 1.19 124.8247986 0.30 130.8606720 0.77 143.0249786 3.05 148.8202667 0.13 159.0114288 0.11 160.9946899 6.08 173.2737427 0.18 178.9584045 100.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 729.2767 Annotation Antibiotic A 32Y3 Peak:m/z Relative Intensity 253.4297638 0.03 271.4922485 0.06 289.3941956 0.04 343.1833496 0.11 358.1604614 0.01 454.0338745 0.02 502.2239990 0.03 562.3090210 0.09 589.2713013 0.02 597.2502441 0.04 609.5798950 0.08 622.4304810 0.05 643.3088989 0.32 653.2783813 2.21 683.4454346 0.08 685.2201538 100.00 685.9271240 0.21 696.9610596 0.17 707.4401855 0.21 710.5765991 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1109.8541 Annotation Unknow Peak:m/z Relative Intensity 345.2863159 0.10 383.2843628 0.46 397.3119507 0.27 420.8324585 0.64 468.5244446 0.41 472.2686157 3.51 473.3406982 0.40 482.7112427 0.33 508.0844727 0.27 524.3936768 0.11 553.4177246 0.43 554.2209473 0.07 580.8123779 0.14 595.8981323 0.17 611.2756348 0.24 628.4508057 0.83 629.1715088 0.15 630.4931030 0.06 666.5474243 0.68 694.4394531 0.61 695.5106201 0.08 741.5010986 4.37 742.6334229 1.41 743.5490723 0.31 765.6677246 0.11 840.5614014 1.62 841.5899658 1.16 842.1903076 0.13 995.5811768 0.15 1052.7659910 0.10 1060.3583980 0.19 1089.9195560 0.18 1095.5541990 0.12 1136.5415040 1.68 1147.7268070 1.35 1148.8264160 0.45 1150.9548340 2.13 1152.0173340 1.26 1152.9733890 0.34 1153.6196290 0.08 1155.4094240 15.43 1156.7159420 1.27 1157.5725100 0.27 1158.7714840 0.34 1160.4495850 0.22 1162.1331790 0.15 1168.4938960 1.87 1169.3302000 0.19 1171.8425290 26.29 1172.9082030 2.05 1174.0501710 1.65 1174.8424070 0.50 1177.0566410 0.21 1178.2366940 0.04 1181.0725100 0.09 1183.1271970 1.15 1185.1837160 0.77 1187.7563480 1.01 1190.7670900 5.49 1191.5832520 1.91 1192.4781490 0.61 1193.9248050 0.14 1197.4731450 0.11 1211.4726560 0.18 1213.6560060 3.51 1214.3664550 0.20 1215.3496090 0.13 1216.8374020 100.00 1218.2755130 3.71 1219.2287600 1.91 1219.8486330 0.04 1220.6241460 0.24 1221.6147460 0.31 1223.1776120 0.48 1224.7512210 0.90 1226.2463380 0.33 1228.0217290 0.08 1232.7795410 2.32 1233.4493410 0.25 1234.2634280 0.36 1236.3166500 0.63 1240.9916990 0.64 1246.3908690 0.26 1266.3767090 0.46 1268.2165530 1.14 1269.3168950 0.60 1271.0388180 2.39 1271.7163090 0.86 1272.6938480 0.07 1281.1669920 0.23 1288.9780270 0.59 1311.7424320 1.26 1315.0041500 0.22 1322.3978270 0.78 1323.6104740 0.06 1339.0435790 0.26 1339.9219970 0.06 1341.1235350 0.09 1348.4476320 0.19 1352.3487550 2.09 1356.4676510 0.77 1360.0151370 0.21 1361.8666990 0.60 1363.5863040 24.49 1364.4459230 0.46 1365.8725590 1.02 1366.7833250 0.14 1368.7563480 0.20 1369.5223390 0.08 1370.6953120 0.15 1373.2742920 0.11 1378.6055910 0.28 1379.2169190 0.72 1380.3502200 2.33 1382.4459230 6.64 1383.2545170 0.90 1386.1695560 60.65 1387.0000000 2.97 1387.6732180 1.00 1389.0579830 1.20 1390.1475830 0.57 1391.4561770 0.08 1402.1678470 1.37 1402.9339600 0.26 1404.4039310 0.09 1406.0303960 8.01 1406.8079830 0.91 1407.8793950 0.53 1417.2331540 0.09 1421.7857670 0.08 1428.7188720 0.57 1439.1973880 0.20 1452.0963130 0.19 1453.7694090 0.23 1460.4735110 0.52 1466.1082760 0.62 1488.8522950 0.46 1503.3878170 0.10 1507.3028560 0.08 1512.8809810 0.86 1522.6341550 0.14 1535.7761230 0.05 1537.5218510 0.12 1543.9333500 0.27 1569.2852780 0.28 1574.6234130 0.06 1592.9951170 0.73 1602.7396240 0.07 1619.5131840 0.41 1621.1824950 0.37 1634.4132080 0.48 1638.9998780 0.24 1640.0006100 0.61 1651.3797610 0.17 1657.5396730 0.25 1666.1199950 0.60 1683.5251460 0.09 1703.1643070 0.47 1704.2149660 1.63 1704.9655760 0.63 1728.1663820 0.74 1730.4368900 0.16 1733.0728760 0.79 1734.0115970 0.05 1735.0930180 0.09 1749.2264400 0.05 1755.7712400 0.45 1759.2628170 0.76 1772.9119870 0.55 1777.1429440 0.24 1805.2093510 0.24 1809.3101810 0.06 1820.1173100 0.05 1822.2222900 0.03 1823.6805420 0.15 1828.3615720 0.41 1834.1057130 0.20 1847.7196040 0.36 1880.4191890 0.19 1915.9899900 0.07 1931.4978030 0.07 1946.5432130 0.07 1971.1605220 0.10 1973.5404050 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 933.2292 Annotation Quercetin 3-[(6''-feruloylglucosyl)-(1->2)-beta-arabinopyranoside]-7-glucoside Peak:m/z Relative Intensity 288.1217346 0.02 296.8492432 0.03 303.1315308 0.04 313.0484314 0.02 316.1202698 0.16 324.9658203 0.07 327.3432617 0.01 330.1310425 0.17 331.1351318 0.17 333.5144043 0.01 355.3202515 0.05 373.3903809 0.08 384.9248657 0.05 397.2982178 0.01 427.3673096 0.04 433.2019653 0.01 460.9544067 0.03 468.9700317 0.01 469.6010742 0.01 474.2150269 0.02 476.3640137 0.02 479.3760986 0.02 505.3760376 0.15 575.6510010 0.05 601.5216675 0.05 604.2528687 0.03 625.3331909 0.09 637.3324585 0.15 655.1776123 0.29 729.1104126 0.02 739.6943970 0.06 751.5811157 0.01 757.4535522 0.06 765.4671631 0.02 768.1535034 0.05 769.3415527 4.85 771.7091675 0.02 783.2604980 0.08 785.3513794 0.01 787.2693481 100.00 787.9354858 0.36 797.1021118 0.01 801.2361450 0.58 813.3273315 0.03 918.9213867 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 132.1 Annotation 3-Aminocaproic acid Peak:m/z Relative Intensity 85.9936829 100.00 89.8764496 0.06 114.1493988 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1265.548 Annotation Unknow Peak:m/z Relative Intensity 389.0806580 0.72 419.3221436 1.29 423.5963135 3.89 425.2668457 0.48 431.1850891 0.84 435.4845276 1.29 437.4613037 2.05 453.4828186 4.26 455.8259888 0.38 481.4508057 15.99 499.4177856 100.00 517.4824219 1.05 595.3420410 0.82 693.5595703 0.20 807.4923706 2.07 825.4538574 6.43 957.6000977 54.68 1008.4754640 0.40 1087.5922850 0.49 1088.6176760 0.36 1089.8721920 2.45 1101.5594480 0.33 1114.0982670 0.35 1133.5643310 2.68 1134.5931400 2.58 1135.5380860 0.81 1160.3948970 1.11 1175.4584960 0.88 1204.3084720 0.45 1220.5609130 0.45 1246.6235350 1.13 1247.6860350 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1089.4786 Annotation Unknow Peak:m/z Relative Intensity 737.4860229 0.19 752.5411377 0.34 766.2094116 0.06 778.5057373 0.04 783.6420288 0.05 817.4291992 0.01 833.6362305 0.16 851.7391357 0.05 852.4595947 0.08 868.4759521 0.06 895.4807129 1.19 896.5539551 0.40 911.4654541 0.08 913.5549316 100.00 914.5303955 54.65 915.1771240 0.26 1009.4450680 0.09 1012.5222170 0.08 1027.4519040 1.02 1028.6024170 1.02 1043.2780760 0.11 1046.8760990 0.27 1053.2398680 0.04 1054.9396970 0.02 1071.5203860 3.33 1072.5255130 2.53 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 675.2667 Annotation Brassica napus non-fluorescent chlorophyll catabolite 3 Peak:m/z Relative Intensity 197.0365906 0.02 238.2048340 0.02 265.1370850 0.04 293.2415161 0.07 297.0280762 0.04 299.0847168 0.02 313.0435791 0.16 319.3381958 0.26 323.2542419 0.18 325.3827515 0.01 335.8343811 0.04 337.2880859 0.35 344.2996826 0.01 345.7999268 0.02 355.3452759 0.43 367.3844604 0.04 391.1900024 0.08 392.3641968 0.14 397.5993652 0.01 403.3631592 0.05 415.0640259 0.01 416.3219604 0.03 430.3396606 0.08 434.3352051 0.06 444.5571289 0.02 446.3847046 0.12 447.4550171 0.02 462.2872314 0.07 464.3461914 0.08 466.5589600 0.25 476.4379272 0.05 477.3368530 0.08 490.2070923 0.06 494.2732544 0.03 495.5262451 0.07 501.2434692 0.19 508.5308838 0.09 510.2462158 0.03 511.4177856 0.21 512.4493408 0.71 513.4420166 0.08 517.9705811 0.04 520.4310303 0.13 531.4529419 0.08 536.6358643 0.01 537.3549194 0.07 539.4960938 0.52 551.1419067 0.03 555.5330811 0.10 557.4032593 1.56 563.5245972 0.09 569.4995728 0.17 571.1674194 0.23 575.4783936 0.04 581.4000854 0.38 583.2827759 0.57 586.5892944 0.05 587.3431396 0.02 592.3996582 0.05 599.3483276 51.88 600.0128784 0.18 601.1478882 0.17 602.4195557 0.39 603.4078979 0.03 607.2994385 0.03 613.5046997 0.25 615.2939453 0.61 625.3604126 0.54 628.7991333 0.08 630.1615601 0.11 631.2665405 1.35 631.9056396 0.09 637.6182861 0.03 643.2824707 100.00 643.9406128 0.55 645.5137329 0.04 647.3861694 0.37 657.4460449 0.70 658.2893066 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 264.89 Annotation Unknow Peak:m/z Relative Intensity 78.9948883 0.12 94.7743073 0.23 96.9825745 0.64 104.7179565 0.37 112.9648895 0.89 129.0265656 3.61 143.1355743 0.14 151.1532440 0.06 176.9436646 0.04 179.1575623 0.03 180.8632965 100.00 209.0773315 0.07 219.0673370 0.42 220.1445618 0.10 220.9450226 0.12 228.8711090 0.04 237.1608124 0.12 246.7960052 11.86 264.5876465 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1147.5178 Annotation Unknow Peak:m/z Relative Intensity 367.3673706 0.40 390.4155579 0.30 405.4723511 0.55 407.3807068 1.20 419.3742065 0.58 421.6021729 0.31 423.3893433 3.99 424.4111023 0.81 425.1234131 0.52 435.6077881 2.19 436.8429260 0.79 437.5758362 1.06 438.3591003 1.07 453.8552856 1.19 454.9098206 0.78 481.4229736 6.03 482.3965759 3.15 499.3380737 76.96 500.4355469 20.33 517.4815674 3.22 518.7407227 0.91 631.4085693 0.53 664.8000488 0.50 675.4589844 2.35 676.7691650 0.22 693.4053345 8.96 694.4928589 1.83 953.1267090 0.21 971.5180664 100.00 972.5870361 37.88 992.0108643 0.14 1043.3454590 0.17 1067.6789550 0.10 1129.4832760 0.68 1130.4382320 0.44 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 631.23 Annotation Unknow Peak:m/z Relative Intensity 241.0935516 4.63 242.2797852 0.32 243.0134430 0.36 257.2445068 1.77 257.9555664 0.33 259.1188965 1.78 282.0758667 0.40 285.0990295 0.20 297.4954224 0.08 300.2606812 0.20 355.5183105 0.22 365.1047974 0.15 368.1917725 0.38 377.2521973 0.16 379.3376465 0.18 380.1265259 0.27 381.4645386 0.45 382.8859863 0.26 384.5209961 0.19 389.5403442 0.32 393.2724609 2.96 394.7357178 2.05 395.4341431 0.22 397.4135742 0.39 401.2076416 0.16 405.3598633 0.35 407.2732544 0.21 408.3292847 0.97 409.4258423 0.93 410.4180298 0.60 411.3875732 0.89 412.3353271 0.44 419.2288208 0.15 420.2062378 0.09 421.1167603 0.47 422.3576050 1.75 423.1922607 0.98 424.4999390 0.86 433.2692261 0.21 434.3676758 0.09 435.0223389 0.28 436.4371338 1.09 437.0615845 2.21 437.6773682 0.48 438.5004272 0.51 441.3085938 0.43 448.1627197 0.13 449.3273926 3.89 450.2620239 4.66 451.3427124 54.91 452.2854614 100.00 453.2568970 50.86 454.2860718 6.88 461.4191895 0.14 466.2850342 0.36 467.3557129 2.34 468.3040161 4.90 469.3065796 25.87 470.2338257 3.24 477.3543091 0.24 479.2174683 0.55 495.5019531 1.57 507.5876465 0.46 508.2207642 0.12 510.2562256 1.32 511.2716675 2.35 512.5659180 0.09 517.3893433 0.23 540.8706665 0.85 541.6049194 0.74 543.3216553 0.68 552.3750000 0.13 571.4478149 0.42 574.3394775 0.29 583.6272583 0.08 587.0238647 0.14 589.4888916 0.44 593.5244751 0.23 598.1271362 0.09 599.3678589 0.17 600.7048950 0.69 613.2753906 0.55 613.9016724 0.14 615.3678589 0.34 630.3057251 0.44 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 667.127 Annotation Unknow Peak:m/z Relative Intensity 187.8520508 0.03 189.1201172 0.10 196.9512329 0.30 201.3838806 0.13 202.1521301 0.23 203.0241699 0.29 206.9225464 0.01 213.0139618 0.98 214.9613953 0.24 219.2469177 0.01 224.9465790 0.08 228.0139008 0.07 230.0797424 2.53 231.1316376 0.57 236.6343384 0.06 241.1109161 1.67 243.1747742 1.17 251.2706299 0.07 254.9176483 0.06 256.1787415 0.14 259.1070557 1.43 261.0965576 0.65 263.3265686 0.02 269.1204224 3.93 271.1215210 0.02 272.3647461 0.04 274.2564087 0.01 277.0794678 0.02 284.1361694 0.04 285.0103760 0.02 285.6394958 0.09 287.1602173 2.08 301.8571472 0.03 304.9789124 2.13 305.6109619 0.03 314.2324219 0.01 323.0502930 13.88 329.0647583 0.08 330.0521851 6.38 341.4288330 0.01 342.2069702 0.03 343.1391602 0.01 345.0894775 100.00 345.6995850 0.70 378.0039062 0.11 385.2626953 0.05 399.2999268 0.01 407.5444946 0.06 408.4454346 0.01 411.3476562 0.01 427.6812744 0.02 460.1176758 0.05 477.5582275 0.02 490.9642334 0.06 525.6453857 0.05 528.2343140 0.03 535.4741821 0.04 560.6058960 0.02 574.2652588 0.03 576.7078857 0.02 585.8801880 0.07 587.2072754 0.02 603.8223267 0.04 607.5292358 0.08 633.8930054 0.04 654.3271484 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 583.2031 Annotation Sylvestroside IV Peak:m/z Relative Intensity 163.1789551 0.02 165.0519104 0.02 178.9401093 0.16 193.1557617 0.02 195.0575867 1.19 207.0645752 0.03 221.0257874 0.04 240.9731903 0.05 244.0621643 0.10 250.2490082 0.06 257.4968567 0.01 259.1446533 0.01 261.4638672 0.01 303.2855530 0.02 306.1381836 0.02 313.1815186 0.01 323.2493896 0.03 327.2904663 9.07 328.2191162 0.63 333.1383667 0.03 334.0400391 0.07 338.5027466 0.01 341.4404907 0.02 344.2914429 0.04 346.5148926 0.11 355.6026611 0.02 357.0921631 0.20 360.1816406 0.02 361.2138672 0.01 375.0941772 100.00 376.1951294 4.97 377.4744873 0.03 389.2719116 0.05 390.1753540 0.11 400.9942627 0.02 403.3830566 0.02 406.8807983 0.05 408.6567993 0.07 413.2369995 0.01 415.5834351 0.04 416.8959961 0.03 418.2409668 0.06 419.3356934 0.05 421.0477295 0.37 422.0369263 0.11 429.4783325 0.04 432.3189087 0.04 448.9790649 0.06 459.1663208 0.49 460.3334351 0.10 461.2910767 0.04 463.2287598 6.15 487.2612915 0.02 491.4136963 0.02 494.2960815 0.01 495.8580322 0.04 497.1643066 0.38 497.7783813 0.01 503.1604614 0.06 505.5148315 0.01 511.4119263 0.04 518.8735962 0.12 521.2933960 0.07 522.3923950 0.23 523.4863892 0.05 534.4873657 0.03 535.1890869 0.04 536.2659302 3.08 536.8701782 26.94 537.9126587 1.87 539.1669312 0.67 540.3810425 0.58 547.1874390 0.19 548.3021240 0.05 551.3932495 0.10 552.2268066 0.06 561.0328979 0.02 565.3667603 0.46 566.3149414 0.08 574.7603149 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 931.4555 Annotation Scopoloside I Peak:m/z Relative Intensity 337.0535889 1.26 379.4651184 0.18 395.2036133 0.60 396.2944336 0.35 412.8773193 1.57 413.6919861 2.36 431.4237671 4.30 455.4956055 0.24 557.5562744 2.05 575.4475708 8.03 581.6952515 0.41 593.5599365 5.98 635.8999634 0.57 645.4073486 0.30 653.7091064 0.45 671.4662476 0.83 689.6011353 2.36 701.4298706 0.64 703.4927368 0.66 717.6109619 0.53 737.5357056 3.29 739.7321777 0.37 745.7608032 0.73 755.5321655 17.10 795.4329224 4.15 807.4678955 1.16 813.6148682 1.44 815.5721436 1.04 825.0316772 2.50 825.6640015 0.85 833.5607300 0.61 837.8085327 1.00 851.6567993 11.39 869.5424194 12.27 871.4661865 6.15 895.5646362 2.36 913.4440918 100.00 914.0932007 0.83 914.7413940 0.95 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 429.07 Annotation Unknow Peak:m/z Relative Intensity 128.1580048 0.22 135.1923523 0.22 144.1327515 0.13 164.0830688 0.39 178.0407715 0.27 189.0549774 0.14 220.1307068 0.48 224.9145203 0.13 235.0716553 0.34 238.2598877 0.09 243.2040100 0.34 248.9991150 0.14 258.1732178 0.13 263.9472656 5.78 266.0417175 0.18 267.0099792 0.07 275.3786926 0.24 281.9649658 0.18 290.1250610 0.06 291.2333984 0.31 306.1393738 0.08 322.0445862 0.06 327.9380493 0.10 330.1976013 0.09 341.2495422 0.20 357.8164062 0.10 366.2909851 0.22 369.1736755 1.05 383.1531067 100.00 383.9259949 1.75 385.1626282 13.07 393.0732727 0.29 395.9643555 0.15 400.6781311 6.17 401.2793274 0.39 410.3448486 0.28 411.2370300 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 259.0786 Annotation 4'-Hydroxyflurbiprofen Peak:m/z Relative Intensity 113.2313538 0.04 138.2495270 0.02 139.9976349 1.75 145.0964966 2.13 155.1010895 0.02 157.9787750 0.08 163.1854095 0.02 164.0070648 0.02 167.0113220 0.08 167.9064178 0.03 181.0150299 0.06 191.1103363 0.03 195.4157715 0.28 196.1063385 5.53 197.1743317 0.08 200.9658661 0.08 213.0731964 100.00 214.1275330 1.00 214.9487152 1.38 231.0402679 20.32 232.1264191 0.02 241.0366669 0.65 242.2078094 0.07 243.9142303 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 517.2 Annotation Ipobscurine B Peak:m/z Relative Intensity 148.7949219 0.16 159.9515839 0.34 161.1095123 0.09 175.1181793 3.26 175.9703369 0.06 178.0639801 0.10 188.2368622 0.14 191.2189636 0.26 193.0811157 3.97 200.0677795 0.19 203.1035767 0.16 205.1175537 0.02 207.2862701 0.10 217.1520691 0.18 221.2226868 0.05 232.9159241 0.11 235.1630249 1.60 240.2278137 0.28 241.0982361 0.09 247.3119507 0.03 249.2380676 0.14 258.9435425 0.13 260.2171631 0.08 265.1337280 1.40 267.2096558 0.03 275.2208862 0.10 276.1559448 0.03 293.1511230 0.04 295.1765747 1.78 300.3513184 0.06 301.2315063 0.09 307.3912354 0.14 311.4155884 0.03 312.3354492 0.11 315.4223633 0.06 318.9652710 0.19 323.1621094 0.68 325.1282349 0.03 337.2058716 2.45 339.3969116 0.05 340.3629150 0.05 341.2387695 0.23 353.2770386 0.06 355.2351074 3.42 363.3335571 0.09 367.2747192 0.11 385.4279785 0.12 387.4367676 0.04 397.4238892 0.42 409.2963867 0.76 419.3366089 6.86 420.0122070 0.04 421.2681885 0.02 427.0664673 2.14 437.3568115 100.00 438.4114380 3.08 445.6430664 0.05 456.3237305 0.02 457.0536499 0.07 459.2239990 0.03 471.2017822 0.03 472.3023071 0.02 473.5121460 0.12 479.5999146 0.03 481.4244995 0.02 487.1803589 0.05 489.1049194 0.05 493.9758911 0.05 498.2201538 0.37 499.3053589 0.33 516.8087769 0.19 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1016.3445 Annotation Unknow Peak:m/z Relative Intensity 321.1035767 0.09 404.4629517 0.03 421.9115601 0.03 423.1666260 0.03 425.4036865 0.02 440.2191467 0.05 505.5851440 0.03 506.3975830 0.04 508.0640259 0.04 584.5535889 0.04 585.4067383 0.02 602.3737183 0.30 603.3359985 0.04 627.1865234 0.10 628.0916138 0.02 682.5614624 0.03 692.4121704 0.01 714.0325928 0.14 728.1628418 0.12 729.5457764 0.03 731.4787598 0.04 740.5943604 2.79 741.4730225 0.18 743.8528442 0.02 752.6483154 3.53 753.7620850 0.06 761.6865234 1.83 762.5525513 0.11 763.7583008 0.03 773.0774536 0.11 773.7811890 0.03 782.5522461 1.62 783.4256592 0.03 791.5988770 37.71 792.4282227 1.65 796.6802979 0.03 797.3637695 0.02 801.1986084 0.03 803.0090332 0.08 833.0130615 2.57 833.9401855 0.26 842.0594482 52.67 842.9373779 2.85 843.9018555 0.06 844.5184326 0.02 861.3286133 0.04 878.3787842 0.64 879.6672363 0.18 884.3963623 0.01 895.7432861 0.03 904.3842773 8.33 905.0622559 7.61 906.9167480 0.02 911.1688232 0.10 916.3641357 0.07 917.5761719 0.07 925.4467773 0.18 926.1337891 0.16 934.5578613 100.00 935.3983154 6.16 936.1319580 0.08 936.9007568 0.02 1225.6937260 0.05 1285.4387210 0.09 1286.4440920 0.02 1303.5997310 0.14 1304.4477540 0.10 1305.6245120 0.06 1363.3316650 0.03 1364.4598390 0.05 1446.7387700 0.01 1447.5085450 0.02 1448.9578860 0.02 1464.7335210 0.09 1465.4974370 0.04 1466.5312500 0.04 1565.5073240 0.02 1567.3997800 0.02 1584.1972660 0.04 1650.2584230 0.02 1666.5360110 0.12 1667.4509280 0.04 1684.7291260 0.03 1685.7052000 0.07 1814.8807370 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 469.3217 Annotation Unknow Peak:m/z Relative Intensity 235.1372986 20.32 351.2714539 10.69 351.9347229 100.00 352.5870056 0.32 383.3957825 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 548.69 Annotation Unknow Peak:m/z Relative Intensity 176.9184723 0.02 194.2998352 0.01 206.8929596 0.33 212.7634583 0.42 214.8386688 0.01 215.9577332 0.01 223.0822449 0.01 231.9290466 0.06 232.9963074 0.02 263.3208008 0.02 290.7600098 1.13 292.9636841 0.01 296.8074951 0.84 297.5623779 0.03 298.3997192 0.11 306.3553772 0.03 309.3321533 0.10 312.3864136 0.02 321.4108887 0.06 354.8604126 0.37 355.8586426 0.01 370.8583984 0.24 371.7775269 0.04 372.9407959 0.73 374.8511353 0.52 380.8126221 19.94 383.0062256 0.02 386.7915649 0.06 388.8739624 0.10 390.9213867 0.22 392.9420166 0.15 402.2769165 0.03 413.0299683 0.02 422.8422852 0.04 449.4760132 0.06 460.7880859 0.04 462.9028931 0.23 464.6475220 100.00 465.3594971 0.17 474.6537476 0.13 475.5248413 0.10 479.7837524 0.03 480.8012695 0.30 490.4633179 0.01 503.3007202 0.02 504.4368896 0.03 505.7880249 0.85 506.7684937 0.50 509.9389038 0.06 512.3200684 0.02 525.1201782 0.05 528.9498901 0.02 530.9432983 0.23 531.5962524 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 610.72 Annotation Unknow Peak:m/z Relative Intensity 177.1414490 0.16 192.9693451 0.11 216.7734985 0.06 220.1803589 0.32 222.9223328 0.27 224.9430237 0.10 274.6039124 0.04 277.0580444 0.08 284.0729980 0.07 290.7459106 2.28 292.6413574 0.08 298.3437805 0.07 303.4928589 0.21 305.4063721 0.10 307.0319214 0.11 329.0793457 0.03 358.8812256 1.15 361.4752808 0.05 364.1232910 0.02 365.2017822 0.11 367.2180176 0.19 374.8669434 2.68 391.0075684 0.81 399.9594727 0.14 426.3326416 0.08 427.0509644 0.04 430.5778198 0.09 442.6529541 12.81 443.3601685 0.16 448.2211914 0.07 455.0963135 0.05 456.2304077 0.08 458.6611938 10.76 464.1081543 0.04 464.9113159 0.04 468.5260010 0.09 473.4678955 0.16 474.8125610 0.59 481.3487549 0.10 484.8526001 0.09 511.4435425 0.08 517.9581909 0.08 526.5864868 100.00 527.4284058 0.08 528.1363525 0.05 529.4920044 0.10 542.5016479 4.22 543.1801147 0.02 550.1751099 0.04 563.9691772 0.39 564.9963379 0.35 567.7733154 0.05 609.7590942 0.05 610.9971313 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 977.256 Annotation Kaempferol 3-O-sinapoyl-sophoroside 7-O-glucoside Peak:m/z Relative Intensity 270.0437012 0.02 272.2739563 0.03 275.0505676 0.03 281.1934509 0.24 281.9973450 0.07 283.2393494 0.02 286.2068787 0.28 287.0832825 0.67 287.9866638 0.05 293.0519409 0.14 295.1745605 0.20 296.3422852 0.02 300.1644897 0.06 301.3799133 0.52 302.2323608 0.26 303.3170471 0.05 307.1879272 0.04 311.2222900 0.11 312.1924744 0.02 313.2322083 0.12 314.0606079 0.03 315.1390076 0.33 316.0916138 0.08 317.2069092 0.46 318.3705444 0.06 322.2187805 0.02 323.0877380 0.33 327.1746826 0.02 328.6080322 0.39 329.2196045 1.02 330.1575623 1.07 331.2450562 0.34 332.1783447 0.08 335.0265503 0.04 337.0848694 0.15 338.2063599 0.02 341.1959839 0.34 342.3532104 0.02 343.0535278 0.45 344.1249084 2.72 345.1183777 5.63 346.2854614 1.14 351.3003540 0.02 353.2243652 0.22 355.2224426 0.31 356.0447693 0.09 358.1521606 0.20 359.2135315 0.40 360.1528625 0.08 361.1413879 0.02 367.2086792 0.05 369.1936035 0.52 370.1922607 0.19 371.1040039 0.21 372.1048584 0.15 373.1381836 0.22 375.2937622 0.08 376.0205078 0.03 381.0222778 0.03 383.2420044 0.29 383.9644165 0.02 385.7244263 0.04 387.2469482 1.52 388.2500000 0.70 394.5573730 0.04 397.2518921 0.47 398.2891846 0.14 399.2126160 0.31 399.9805908 0.04 401.6177673 0.07 402.3226929 0.05 407.1929932 0.08 409.2637939 0.07 412.1091309 0.03 413.3646240 0.12 417.2261353 0.13 418.1451416 0.05 423.4082642 0.14 425.1743164 0.18 426.1802368 0.06 431.4611206 0.10 437.3134766 0.03 439.0461426 0.20 443.2628174 0.03 447.1246338 0.08 448.2571411 0.02 453.2103882 0.23 454.2281494 0.02 462.4558105 0.03 465.9721680 0.02 467.0266113 0.16 469.2400513 0.21 471.2794189 0.07 472.2026367 0.06 473.3970947 0.03 475.6828613 0.02 483.3051758 0.13 484.7584229 0.18 485.4172363 1.23 486.3092041 0.36 486.9907837 0.03 491.2505493 0.27 493.1449585 0.06 495.0187378 0.02 499.2474365 0.46 501.2871704 0.07 502.7449951 0.06 507.3485107 0.19 509.3326416 0.22 519.0365601 0.31 520.3323364 0.22 521.1441650 0.11 527.1645508 0.77 531.0018311 0.06 534.2291260 0.06 539.4498291 0.03 544.3687134 0.04 578.4300537 0.06 591.0052490 0.07 593.4160767 0.05 595.4796753 0.02 603.2933960 0.06 610.1347656 0.05 617.2687988 6.45 618.4620972 1.14 619.4430542 0.30 620.4395142 0.02 621.2488403 0.32 622.3362427 0.08 623.2703247 0.02 631.2244263 2.12 632.3374634 0.35 633.3128052 0.21 637.3273926 0.24 639.1387329 0.37 640.4061890 0.26 645.3892212 0.06 651.3034668 2.99 652.3418579 1.21 653.2832031 0.08 660.3254395 0.03 665.3773804 0.30 666.5249634 0.12 669.3234253 0.75 670.2759399 0.35 671.1414795 0.07 676.8392944 0.06 681.5518799 0.04 683.3499756 0.40 685.4052124 0.13 695.3823242 0.04 701.0116577 0.03 704.2971802 0.02 715.3487549 0.04 739.3196411 0.08 751.4158325 0.07 753.1423950 0.03 755.3291626 0.05 757.1581421 0.03 762.5308228 0.06 769.3046265 0.93 770.2250366 0.78 783.2941284 12.00 784.3140259 3.60 785.4719238 0.03 786.2255249 0.08 788.5780640 0.04 795.7295532 0.07 796.6711426 0.09 797.5156860 0.08 798.4679565 0.21 799.0829468 0.10 801.2528076 100.00 802.2553711 38.49 802.9251709 0.06 809.3573608 0.13 812.5678101 0.16 813.3037720 0.06 815.3016968 23.04 816.3944702 5.98 818.1872559 0.03 825.3187256 0.06 827.2869873 2.05 828.3351440 1.08 830.4627075 0.12 831.6173096 0.21 841.2695312 0.04 845.2872925 3.87 846.4506226 1.79 847.4602661 0.05 855.6895752 0.04 887.3275757 0.09 889.5104370 0.16 890.4630737 0.02 905.2606201 0.04 917.2156372 0.22 918.4421997 0.04 928.7518921 0.07 929.5145874 0.15 933.1901855 0.10 933.8652954 0.09 934.5515137 0.03 945.2651978 2.38 946.3627930 1.26 947.2932129 0.05 948.3120728 0.05 949.3541870 0.08 959.3108521 0.11 960.4291992 0.13 962.2816772 1.08 963.4355469 0.78 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 489.1613 Annotation 6'-O-beta-Apiofuranosylsweroside Peak:m/z Relative Intensity 144.9101868 0.33 146.9791412 0.84 148.3930206 1.46 149.0105591 4.18 150.9905548 0.68 158.0951538 1.02 159.9280853 7.25 160.9996948 2.90 163.8945465 0.26 173.1405945 2.55 175.0722961 25.53 175.9574432 4.10 176.9387207 0.33 178.0603638 4.39 178.9269104 0.26 189.0490723 0.16 191.1352692 9.13 193.0849304 100.00 193.9485626 0.17 195.2836304 0.18 202.7628174 0.43 204.8915863 0.32 206.4930725 0.34 207.2109680 1.96 216.4746246 0.64 217.0997620 1.57 221.2168579 0.24 225.1406250 0.20 231.0886230 0.10 232.8099060 0.30 235.0466919 82.40 235.6763000 0.12 246.0442505 0.28 247.1451111 2.62 251.3323059 0.29 257.0218811 0.20 259.2362976 0.82 263.3042297 0.27 265.1096802 31.21 277.3774719 0.95 279.0681152 0.26 294.1849976 0.11 295.2259521 50.50 307.5055847 0.53 313.1849976 1.59 322.9988403 0.29 325.2460327 0.62 326.9121704 0.21 329.1357422 0.07 337.2117920 9.37 345.2934265 0.14 355.1062012 14.15 355.9402466 0.22 356.9983521 0.20 386.0138855 0.53 397.0791626 0.08 408.4778442 0.08 411.3841858 0.18 413.6549988 0.16 441.1856995 0.09 443.2272949 1.27 445.1779480 0.68 470.4756470 0.10 471.2220154 1.15 474.3085632 1.44 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 418.2271 Annotation Unknow Peak:m/z Relative Intensity 119.8370361 0.23 132.9291077 0.91 135.0779114 0.31 144.0434723 0.11 147.8053589 0.20 150.9993896 0.18 156.1124725 0.10 161.2656555 0.04 176.4825134 0.31 177.2430420 0.48 190.8868103 0.05 198.2360687 0.03 201.2766113 0.10 202.9719543 0.13 208.9553833 0.05 213.0312042 0.11 220.9984894 0.09 223.0069733 0.17 224.0130920 0.04 233.4635620 0.05 239.0561829 100.00 239.7062988 0.28 241.6565247 0.19 242.3014832 0.09 245.0536804 0.11 246.4321289 0.04 249.3386230 0.04 255.0583496 0.60 256.2096863 0.09 259.1983032 0.21 264.3948364 0.11 269.2263489 0.23 273.1577148 0.06 276.3046265 0.17 277.1816711 0.22 279.1989746 0.05 283.3620605 0.30 284.0990906 0.04 286.8271179 0.08 287.7223816 0.23 291.2104492 0.03 297.2586060 0.07 303.4738159 0.23 305.1765137 0.11 311.3706665 0.15 312.0304565 0.08 313.0701904 0.19 313.9649048 0.29 317.5558777 0.56 319.5935059 0.21 320.3198242 0.03 321.6497803 0.23 323.2550049 0.12 326.4296875 0.27 329.4165649 0.12 330.4489746 0.11 331.7916870 0.40 333.3280945 0.05 338.1165466 0.10 343.3631287 0.03 344.9467773 0.18 345.9467468 0.11 349.5270996 0.16 357.8237305 0.13 359.3146362 0.06 360.6493835 0.07 370.9004211 0.09 372.3903503 0.24 373.2511292 0.06 381.1669922 0.49 382.5068359 0.51 383.3797913 0.12 386.9920044 0.16 387.6777649 0.26 389.2134094 1.01 390.2500610 0.25 394.9958191 0.29 396.6705627 0.12 399.4469910 2.22 400.7439270 15.86 401.5357971 0.22 403.6276855 0.35 408.1083374 0.17 408.7584839 0.13 409.8959961 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 699.1534 Annotation Heliquinomycin Peak:m/z Relative Intensity 199.3554993 0.09 200.9999390 0.15 202.0666199 0.03 203.0630341 0.20 204.0646515 0.11 205.0775452 0.23 206.3489990 0.04 207.0580444 0.04 210.2508545 0.01 211.1034088 0.05 212.1032410 0.01 213.0370178 0.03 213.9604645 0.02 215.1716614 0.36 216.1128998 0.01 217.1327057 0.08 218.1211243 0.15 219.3065186 0.06 220.2690430 0.02 223.0557861 0.02 223.9699554 0.01 227.1499481 0.18 228.1887970 0.06 229.1670227 0.18 230.2322693 0.02 231.1986084 0.16 232.0115051 0.34 232.9834900 0.26 239.1104431 0.25 239.9413757 0.01 241.0357666 0.07 243.0704956 0.68 244.0415192 0.13 245.0783234 0.17 255.1334534 0.14 256.1765137 0.08 257.1235352 0.09 258.1470032 0.15 260.1064758 8.91 261.1633301 1.45 262.1358032 0.25 265.3020325 0.02 267.0532532 0.18 267.9625244 0.03 269.2089844 0.36 270.1157837 0.16 271.1508179 1.39 272.0413818 0.14 273.1671753 0.75 274.2246704 0.14 281.1362915 0.01 285.1273499 0.09 286.1372986 0.59 287.1137085 0.25 289.0142822 1.28 290.0974426 0.14 291.1663818 1.09 292.1796875 0.04 297.0575562 0.98 298.1507568 0.24 299.1847229 1.77 300.1910400 0.17 302.1243286 0.02 304.1319275 0.04 305.3460083 0.01 307.1028442 0.07 314.0287476 3.14 315.0985107 1.12 317.1057739 1.24 318.0688477 0.14 331.1027832 4.31 332.2314453 3.53 333.1895142 0.35 335.0227661 2.37 336.0532532 0.43 347.1155701 100.00 348.1525269 15.07 348.7787170 0.08 353.0814819 19.13 354.1129761 2.78 386.4033203 0.04 493.0114746 0.01 505.1404419 0.04 523.1525269 0.02 540.8348999 0.01 565.1467896 0.03 610.7210083 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1022.7901 Annotation Unknow Peak:m/z Relative Intensity 308.2295532 0.75 342.9882507 0.68 350.0419922 0.36 367.3856201 4.10 368.4310608 0.28 372.5338440 0.46 419.3192139 0.28 427.1498413 0.93 436.3178406 0.63 439.1702271 1.15 455.3897095 0.53 480.0456238 0.78 486.2751465 1.53 498.4697266 1.06 510.4007874 6.00 514.7609863 0.37 529.4036865 1.62 538.6369629 4.06 539.6821899 2.70 557.4493408 0.85 579.5083008 0.52 595.6674805 1.94 608.7243652 0.34 611.4581299 1.43 624.9361572 0.52 650.5096436 1.32 658.4753418 1.10 680.5354004 1.02 686.1326294 0.92 690.6837158 0.54 697.5646362 2.01 708.3311768 3.43 708.9488525 0.93 709.6259766 2.35 730.2863159 0.87 740.7171631 3.00 741.4112549 2.24 748.2996826 1.46 759.2224121 1.02 774.1776123 2.49 777.2996216 0.54 786.6723633 0.52 791.6156006 1.58 806.4196777 3.56 807.9914551 0.25 816.3347168 0.39 830.4121094 0.38 836.3211670 3.69 838.4399414 1.55 847.5034180 2.74 848.3452148 0.25 852.0224609 4.26 853.4842529 2.47 855.8535156 1.44 859.7270508 0.87 862.8909912 3.01 864.8300781 1.01 869.6192627 0.52 872.4741211 1.38 875.7841797 1.94 876.7290039 0.66 878.1201172 3.39 880.7569580 3.02 883.7991943 10.04 888.2172852 4.04 889.6525879 3.22 890.9750977 6.72 891.9672852 3.38 893.0938721 5.61 896.5970459 4.46 899.1564941 2.32 900.0969238 5.74 901.4772949 3.25 902.1762695 2.50 907.9887695 0.96 909.3297119 9.53 911.6295166 1.11 912.5427246 1.49 913.4423828 3.85 915.1595459 0.43 916.5893555 3.75 917.3577881 5.10 918.0054932 5.71 919.2011719 1.67 920.2039795 6.93 921.0463867 5.02 922.1071777 5.37 923.8708496 1.63 927.3397217 9.53 929.2901611 9.82 930.6440430 13.21 931.9971924 15.05 932.8707275 12.85 933.6936035 4.47 935.0469971 17.19 936.0772705 5.74 937.0150146 4.22 937.7714844 2.66 939.7731934 3.96 941.1287842 15.79 941.7410889 15.49 943.5520020 4.37 944.8326416 17.86 945.6964111 6.99 946.5821533 3.54 947.3937988 2.60 948.2767334 4.10 949.0006104 7.37 950.2459717 12.10 950.9686279 8.29 951.8017578 5.58 952.5020752 1.73 953.4104004 2.88 955.8198242 19.13 956.4868164 18.65 957.6112061 9.08 958.7156982 29.43 959.5644531 8.13 960.4027100 7.14 962.0285645 5.60 962.6586914 11.43 964.4273682 13.28 965.2023926 14.26 966.3813477 5.91 967.4505615 20.16 968.3789062 6.50 969.3154297 4.32 970.5635986 12.11 971.2705078 1.39 972.3129883 11.60 973.1716309 8.76 974.0435791 7.12 975.4689941 8.55 976.2102051 4.59 977.0557861 1.24 978.5036621 9.47 979.2907715 7.71 980.0721436 9.62 980.9342041 27.99 981.7716064 15.57 982.4960938 9.43 984.3399658 31.21 985.3812256 100.00 986.2043457 3.43 986.8469238 0.94 988.0645752 96.38 989.7238770 38.59 990.3785400 43.25 991.0209961 13.85 992.6340332 2.98 993.8747559 6.97 994.7058105 3.57 995.9014893 1.18 997.1831055 6.90 998.2313232 4.28 999.0800781 8.71 1000.5706790 1.61 1001.9414060 23.77 1002.9340820 16.22 1004.4722900 6.58 1005.5429690 12.21 1007.7219240 72.95 1008.5896000 62.93 1009.9367680 0.70 1011.0087890 24.09 1011.7058110 28.90 1012.6757810 1.66 1013.6166990 23.50 1014.2167970 18.52 1022.5579830 1.50 1023.9891360 0.42 1043.2399900 2.32 1052.1193850 1.23 1058.6668700 1.49 1059.9543460 2.89 1061.0063480 1.35 1065.9672850 1.94 1066.9663090 2.78 1070.4086910 1.51 1073.2033690 1.05 1076.3265380 1.95 1079.4600830 1.73 1083.6545410 0.67 1084.3325200 0.96 1093.1029050 13.33 1094.2695310 1.17 1095.6693120 2.05 1097.5450440 2.08 1099.4614260 1.85 1103.6298830 1.02 1107.1729740 1.55 1108.9416500 0.88 1115.9067380 4.62 1119.4675290 2.29 1124.2421880 3.27 1130.6267090 3.53 1131.7963870 1.71 1132.5568850 2.61 1135.6385500 0.31 1144.3458250 0.31 1146.0151370 2.33 1147.2615970 0.53 1149.6049800 1.20 1150.3837890 0.61 1152.2346190 2.41 1153.5927730 1.82 1158.7083740 2.97 1161.5429690 3.66 1162.9385990 8.07 1163.8886720 1.56 1165.2680660 1.91 1166.0963130 1.38 1166.8085940 4.15 1171.6032710 1.23 1174.0694580 1.62 1179.8299560 10.53 1180.5529790 4.05 1181.4379880 0.58 1184.6262210 0.48 1186.0394290 0.69 1189.6826170 2.01 1196.2060550 1.94 1197.6126710 0.99 1198.8706050 3.36 1199.8972170 0.47 1202.5401610 1.49 1205.1657710 2.41 1207.8077390 0.52 1208.7077640 0.75 1212.5544430 1.70 1214.8193360 3.36 1215.5731200 0.27 1216.9468990 1.17 1218.4143070 2.16 1219.1043700 0.39 1224.3208010 2.16 1226.5306400 1.49 1230.6071780 1.67 1233.9873050 2.74 1234.6853030 1.14 1240.7724610 1.23 1242.1296390 3.92 1245.1538090 5.19 1246.1376950 1.49 1247.9916990 3.04 1249.5224610 1.02 1250.3253170 2.02 1251.1413570 0.41 1252.2431640 2.90 1254.7203370 4.69 1255.3730470 6.81 1256.7987060 3.92 1260.2998050 3.46 1263.8742680 11.24 1264.6215820 3.76 1265.4368900 10.49 1266.2038570 1.69 1268.1942140 2.77 1272.0485840 1.84 1274.0294190 1.23 1276.3144530 3.59 1278.5360110 7.07 1280.3912350 2.12 1282.2692870 3.38 1283.5139160 1.61 1284.3577880 3.05 1289.6623540 0.52 1292.4377440 9.78 1293.7221680 0.84 1298.4759520 0.81 1299.4468990 0.36 1302.0238040 1.40 1303.5538330 4.71 1304.5563960 3.35 1306.3552250 2.68 1307.7775880 5.41 1312.0882570 4.84 1313.1527100 1.61 1314.0686040 0.98 1315.5892330 1.17 1317.2078860 4.60 1323.8182370 2.22 1324.9095460 6.20 1325.9237060 3.10 1328.7121580 3.00 1332.6914060 8.04 1333.2979740 1.34 1335.7369380 4.90 1337.4497070 2.05 1338.7519530 1.91 1341.6568600 9.20 1342.8551030 2.44 1346.2000730 1.40 1347.7241210 5.86 1349.5588380 6.03 1350.7618410 22.86 1351.6689450 6.24 1353.8946530 16.05 1354.8448490 15.27 1358.0119630 1.54 1359.1961670 0.46 1361.0439450 8.61 1361.8231200 2.29 1363.5203860 54.21 1364.3544920 2.39 1368.5224610 3.70 1369.5970460 2.48 1370.5816650 1.48 1373.9322510 1.71 1374.8781740 4.44 1376.1662600 1.46 1378.3320310 3.92 1379.9974370 12.26 1381.3162840 2.72 1382.4842530 2.20 1383.2615970 0.48 1384.8355710 2.44 1385.5511470 0.93 1386.3026120 4.42 1387.1334230 1.62 1388.4803470 2.54 1390.6972660 2.64 1393.2849120 3.11 1394.8421630 1.74 1396.7559810 4.59 1398.7254640 3.24 1402.4173580 5.99 1404.0469970 3.03 1407.0233150 6.06 1410.8369140 11.86 1411.4761960 6.69 1414.0273440 4.01 1415.2133790 2.44 1416.5130620 1.05 1417.8477780 0.51 1419.3194580 8.81 1420.1257320 1.70 1424.6176760 3.42 1425.4000240 1.49 1426.8762210 5.06 1427.7122800 4.13 1428.7199710 4.29 1429.6926270 9.84 1433.5587160 1.61 1434.5423580 1.70 1435.8391110 49.97 1436.7823490 26.14 1438.6567380 1.80 1439.5635990 1.67 1441.1002200 0.97 1441.9284670 3.27 1443.2532960 2.32 1443.9179690 3.61 1448.0999760 0.76 1449.2585450 2.63 1449.9288330 0.58 1453.5345460 1.58 1456.4586180 2.27 1460.2493900 5.99 1461.1864010 1.09 1461.9791260 0.72 1463.0837400 1.01 1466.7530520 2.16 1468.3985600 1.61 1469.2523190 9.69 1470.9332280 5.02 1471.7186280 1.12 1476.2525630 2.23 1477.1353760 37.78 1477.9061280 8.08 1479.1085210 1.23 1484.2645260 11.69 1485.0722660 7.21 1486.0671390 5.38 1491.3118900 0.54 1504.8334960 0.58 1509.2075200 1.58 1521.6215820 0.81 1540.6459960 1.21 1543.7659910 0.57 1570.3583980 1.38 1590.8404540 0.73 1591.5384520 2.20 1593.8328860 0.73 1603.1757810 1.18 1608.5871580 0.75 1609.4774170 0.34 1615.9434810 2.27 1625.2526860 0.84 1632.0697020 1.43 1710.6861570 0.70 1733.5965580 0.37 1787.0543210 1.82 1791.1439210 1.24 1867.7335210 1.91 1950.2424320 0.76 1969.3780520 1.55 1981.4786380 1.64 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 691.26 Annotation Maytanbutacine Peak:m/z Relative Intensity 195.9526825 0.04 201.0597229 0.04 202.1881561 0.15 212.8316956 0.12 215.1535034 0.19 216.3995361 0.04 228.5228577 0.36 229.2125397 0.82 230.1123199 0.22 238.5119781 0.08 245.2545929 0.45 252.9474487 0.12 255.2107697 0.22 256.1799316 0.08 257.2149658 0.03 257.9387207 0.12 260.1715393 0.07 263.1481934 0.04 267.0691528 0.14 273.1913452 4.58 275.2781677 0.33 285.4100647 0.05 291.3263550 0.19 299.3254395 0.25 303.2941284 0.06 311.3372803 0.05 317.1981201 4.85 325.4858704 0.08 331.1757812 0.08 335.1787720 38.55 349.0850220 0.03 355.2605591 2.48 378.2827759 0.06 384.5903931 0.13 403.5042114 0.03 409.1494751 0.02 422.3942871 0.15 423.4054565 0.05 425.7706909 0.07 427.3161621 0.31 437.3510742 0.04 439.9412842 0.24 443.5957031 0.22 446.1841431 0.04 452.4023438 0.12 462.2172241 0.27 466.0512695 0.12 483.1771240 0.06 490.2119141 0.11 493.5630493 0.18 501.6307373 0.09 502.5473022 0.15 505.9647827 0.04 510.6774292 0.16 514.7468872 0.14 515.4647217 0.61 521.8644409 0.16 524.2964478 0.56 526.4908447 0.21 528.4716187 0.28 529.5535889 0.17 533.5356445 0.11 534.3247070 0.56 535.3560181 0.04 544.2120972 0.05 545.4863892 0.06 551.3359985 0.22 552.3107300 0.15 555.4385376 0.83 559.0587769 0.03 560.6160278 0.23 571.3983154 0.34 574.6799927 0.05 579.2260132 0.08 581.4463501 0.06 585.1340332 0.13 587.3623657 1.43 591.2546997 0.19 593.2872925 0.04 594.6515503 0.17 595.2925415 0.06 597.3934937 4.85 599.2181396 8.38 599.9185181 0.10 600.7317505 0.06 601.3917847 0.17 603.2874146 0.34 610.4335938 0.26 611.6791992 0.10 613.4349976 0.21 615.3933716 6.00 616.2881470 0.12 617.3787231 0.25 619.3872681 0.44 622.4308472 0.16 623.3244019 0.59 628.3175659 0.20 629.1847534 0.29 631.2580566 29.52 631.9619141 0.61 641.3140259 47.23 642.0386963 0.14 643.2241821 0.04 644.3771973 0.48 645.4747925 1.22 646.3750610 0.08 647.4689331 1.29 653.5781860 0.22 655.0053101 0.80 655.8171387 0.44 659.2643433 100.00 659.9368896 0.43 661.1394653 0.23 663.4045410 0.10 667.8517456 0.05 669.1655884 0.43 670.8759155 0.05 673.2899780 54.24 674.1736450 0.44 676.3131714 0.05 681.8833618 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 258.06 Annotation Unknow Peak:m/z Relative Intensity 80.8562622 0.05 135.0535431 0.06 151.9672394 14.90 158.9667511 0.08 160.1060791 0.03 166.9542694 0.09 178.1415253 0.36 196.0205536 19.21 200.9922791 0.14 211.1777496 0.12 212.1104889 0.13 222.0753632 2.71 240.0243530 100.00 242.2905731 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 699.4891 Annotation Unknow Peak:m/z Relative Intensity 203.2090607 0.31 213.1763153 0.12 224.0912476 0.23 228.1865540 0.42 245.3422241 0.10 247.1196747 0.11 274.1291199 0.08 283.3942566 0.43 288.2700195 0.12 299.3526611 0.17 308.3843384 0.33 310.3347778 0.16 313.2316284 0.22 328.4407349 0.32 363.9756470 0.19 367.4308472 0.22 370.4833374 0.27 409.5894165 0.12 419.4730835 0.32 421.1032104 0.26 429.1060791 0.08 454.0462646 0.48 455.1639404 1.24 456.3886719 0.07 470.9153442 0.19 473.1085205 0.09 480.3265991 0.18 485.1119995 0.11 486.2340088 0.08 490.4678955 0.39 493.5688477 0.23 494.9907227 0.15 505.7198486 0.63 517.2210083 0.18 518.3994141 0.40 524.3973999 0.57 547.4672241 0.44 568.1713867 0.76 587.5558472 0.90 595.7315674 1.28 604.9646606 0.59 606.7545776 0.07 609.7044067 0.54 611.5899048 0.38 613.7617188 1.10 614.5025024 0.08 620.1752930 1.81 624.0711670 2.11 626.9846191 1.42 629.9967041 1.09 632.8596802 0.56 634.1207886 0.46 634.7899170 0.96 635.7252808 0.96 637.1047363 0.16 639.0036011 1.80 639.9873047 1.47 640.6856079 0.42 641.6839600 0.98 642.3619995 1.11 643.9717407 1.48 645.1986694 1.20 646.3856812 2.48 647.9457397 11.00 648.7309570 4.28 650.2476807 0.77 652.5032349 13.79 653.3933105 3.59 654.9942627 1.74 656.0439453 1.37 656.8820801 6.16 657.6107178 3.27 658.6371460 3.86 659.4479980 4.02 661.2476807 9.69 662.2354126 3.57 663.2276611 14.00 664.2136230 2.35 665.0264282 3.34 666.2472534 5.35 666.9990234 0.75 667.7793579 4.58 668.9606323 1.88 669.9359741 1.95 670.6948853 4.44 671.4781494 0.52 672.3318481 2.29 673.1069336 4.98 673.8886108 4.19 675.1238403 6.41 675.8422241 7.71 676.7542725 8.40 677.4456177 6.90 678.1044312 10.51 679.3275146 14.63 680.3117065 17.01 681.3650513 5.03 682.3320923 10.75 683.9898682 43.69 684.6875610 34.60 686.3910522 37.76 687.2327271 13.26 688.6501465 96.69 689.5514526 14.19 690.9992065 100.00 691.8302002 8.59 692.7006226 4.41 693.4526978 0.24 695.2142334 0.16 697.6826172 0.20 700.3799438 0.37 707.3317261 0.95 708.4412231 0.59 710.3151245 0.66 731.6094971 0.10 742.5812988 1.79 745.0316772 0.39 746.8182983 0.95 749.9243164 1.66 750.7343750 0.43 752.0368652 0.64 754.5017700 0.06 756.7523804 0.09 757.3706055 0.12 759.3767700 0.83 761.6505127 0.12 764.2697754 0.84 765.4243164 1.02 769.5020142 1.08 772.7140503 1.11 775.4154053 0.28 778.5341187 0.80 780.8953247 1.26 783.7187500 0.69 785.8371582 1.80 787.4112549 0.16 789.1369629 0.25 790.1611938 1.82 790.9026489 1.13 792.4844360 2.20 793.6121826 0.61 795.8808594 0.58 797.4290771 0.98 799.3451538 1.26 806.7000732 0.12 807.3997192 1.07 808.4811401 0.65 810.4590454 2.05 811.1497192 1.24 813.9140015 5.20 817.5065308 2.88 818.4418945 0.84 819.5969238 1.54 822.8571167 4.09 823.7274780 1.19 824.3680420 2.22 825.0282593 1.39 826.5291748 3.38 827.5505981 2.66 828.8641968 2.66 831.7402954 2.49 832.7559814 0.79 833.6420898 3.12 835.5718384 2.65 836.9072876 5.53 837.7633057 2.26 839.1929321 3.34 840.2938843 0.78 841.8789673 6.01 842.8045044 2.62 843.6951294 1.88 844.9326782 4.14 845.6160278 2.53 846.9370728 4.44 847.5405884 0.32 848.5308228 2.17 850.0853882 6.91 851.1266479 5.16 851.8716431 1.42 853.7096558 0.79 855.1204834 4.24 856.0263062 13.51 857.1065063 10.22 857.9069824 1.92 858.6123047 0.50 859.3217163 2.07 860.3375244 4.53 861.4879761 4.83 862.4608765 1.99 863.5356445 4.29 864.7112427 9.00 865.7870483 4.34 867.6230469 1.75 868.6682129 3.67 869.4448853 10.92 870.3442383 17.83 871.2751465 7.66 872.5954590 2.61 874.1592407 4.73 875.1791992 24.81 876.0499878 38.87 877.2160034 0.83 878.3021851 3.63 879.3031616 10.89 880.3209839 3.45 881.3078613 2.99 882.3436890 3.99 883.3700562 1.94 884.3520508 6.27 885.4293823 0.86 887.1000977 7.34 887.9154663 6.27 888.6504517 1.49 889.5093384 5.64 890.1746216 6.72 890.9318848 2.80 891.9904785 1.10 892.9679565 12.27 893.7660522 11.40 894.6254883 4.95 896.5084839 0.81 897.1984253 1.72 897.8545532 1.83 898.9512329 8.85 899.7990112 13.25 901.0410767 0.49 902.3888550 3.02 903.1886597 6.98 904.1444702 5.59 906.1166382 1.61 906.8416138 0.46 908.7282104 5.11 909.7712402 4.98 911.4924927 2.89 912.2101440 0.80 913.9255981 4.35 914.5905151 0.85 915.2604370 0.48 915.8611450 0.23 917.2963867 6.13 918.1875000 2.09 919.4794312 0.85 920.9381714 1.22 921.7879028 0.74 923.1811523 2.18 923.8165894 0.21 927.5437622 1.69 950.4060669 0.16 953.0703735 0.35 970.8959351 0.56 974.2468262 0.84 981.4816895 0.11 989.0216675 0.57 990.7185669 0.34 993.6683960 0.74 997.0465698 0.73 1002.7009890 0.54 1008.4480590 0.18 1019.6447750 0.26 1025.7443850 0.65 1033.2456050 0.31 1034.9316410 0.55 1060.2861330 0.21 1068.4117430 0.12 1069.5360110 0.54 1078.3312990 0.55 1080.4780270 0.33 1084.2164310 0.31 1095.9062500 0.49 1105.2087400 0.09 1106.1314700 0.32 1130.1826170 0.23 1137.2618410 0.48 1138.4758300 0.11 1139.8359380 0.30 1145.8890380 0.44 1149.3629150 0.60 1174.8460690 0.33 1180.9211430 0.60 1205.4932860 0.42 1257.6561280 0.54 1319.6761470 0.13 1413.7723390 0.25 1437.1727290 0.18 1495.5676270 0.12 1530.4439700 0.09 1535.5106200 0.21 1886.0314940 0.55 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 521.09 Annotation 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide Peak:m/z Relative Intensity 156.4110565 0.02 175.0557251 0.24 181.0633850 0.01 203.0592804 0.04 301.2510986 0.01 317.0501709 0.12 330.2284546 2.13 343.4454956 0.04 345.1095581 100.00 387.3565674 0.10 457.7014771 0.03 459.2037964 0.04 489.6122437 0.01 503.0617065 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1391.75 Annotation Unknow Peak:m/z Relative Intensity 409.4300537 0.05 421.4693909 0.03 423.8723755 0.14 425.6566467 0.04 439.2729187 0.43 457.0756531 0.76 501.2035217 13.44 519.1055908 3.85 693.6302490 0.31 695.0183105 100.00 695.6719360 0.27 1011.3942870 0.17 1046.8670650 0.05 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 759.3 Annotation Unknow Peak:m/z Relative Intensity 221.1169128 0.02 233.1039581 0.03 255.1451111 0.02 261.1791992 0.01 265.2743225 0.03 271.8200378 0.04 283.3331299 0.02 285.8961182 0.01 314.3845825 0.01 315.2329407 0.01 345.2758789 0.10 346.0686951 0.04 373.4153442 0.01 391.3370361 0.02 415.3646851 0.01 425.3975220 0.01 438.5800781 0.04 442.5978394 0.03 443.3462524 0.01 444.4202881 0.01 446.7188721 0.02 449.4523315 0.03 482.9321899 0.09 486.6980591 0.01 488.4674683 0.04 504.3143311 0.03 507.6465454 0.02 543.0920410 0.05 546.9384155 0.02 555.3231812 0.03 565.3237915 0.02 591.1138306 0.07 597.2782593 0.01 617.2266846 0.01 622.3494263 0.05 644.3222046 0.02 651.5254517 0.08 690.1640625 0.40 691.2910767 0.03 700.0767212 0.07 713.7453003 0.19 717.0900269 1.98 717.9217529 0.48 719.1192017 0.15 720.0707397 0.07 722.6312256 0.70 723.4926147 0.07 726.2636108 0.01 727.3749390 0.03 735.7665405 0.01 740.7691040 0.33 741.4492188 0.09 742.1351929 0.03 744.1657715 0.03 746.5880737 0.43 749.8067627 0.60 752.4949341 0.01 759.3983765 0.05 809.4299927 0.11 838.0858765 1.54 838.7429810 0.39 839.5902100 0.01 842.7633057 0.01 855.1094360 0.22 856.1239624 0.12 862.2603149 2.62 863.2157593 1.64 864.0260620 0.16 864.6980591 0.08 868.0110474 0.22 870.5281372 0.12 878.7002563 0.12 879.5924683 0.11 882.8076172 0.01 885.4665527 0.05 889.9135132 0.21 891.5457153 0.55 894.0286255 0.16 894.9145508 0.11 896.1812134 12.82 896.9450684 3.27 897.9966431 0.32 898.6027832 2.47 899.3546753 0.70 900.0144653 0.08 901.7337036 0.06 902.6796265 10.78 903.3535767 100.00 904.5856323 0.89 905.3161621 0.43 906.4670410 0.31 907.3434448 0.23 908.3378906 0.17 910.3126831 0.12 911.0544434 0.03 914.1625977 0.20 915.3564453 0.04 920.3935547 0.16 921.8103638 0.06 931.9000854 0.05 932.9357300 0.04 956.5861206 0.08 976.8867188 0.18 986.5995483 0.06 990.4269409 0.03 999.5671997 0.12 1007.0392460 0.02 1023.5040890 0.01 1032.3791500 0.02 1037.9436040 0.05 1041.3752440 0.03 1055.2037350 0.01 1084.1787110 0.03 1085.9783940 0.06 1117.5013430 0.27 1118.2216800 0.14 1136.8249510 0.07 1143.5383300 0.01 1144.3481450 0.08 1147.5256350 0.04 1149.3071290 1.25 1150.1358640 0.58 1150.9633790 0.13 1155.0964360 0.07 1155.8795170 0.02 1156.8688960 0.57 1158.4328610 0.12 1160.7177730 0.23 1162.0078120 0.10 1166.1904300 0.12 1170.7697750 0.13 1216.5473630 0.08 1282.6634520 0.03 1286.8808590 0.01 1304.2811280 0.02 1307.1610110 0.02 1318.7067870 0.07 1334.8731690 0.11 1338.0559080 0.06 1341.8074950 0.04 1342.9393310 0.05 1401.8779300 0.03 1405.1650390 0.04 1409.7752690 0.15 1435.9741210 0.07 1486.0336910 0.03 1489.6274410 0.06 1518.9624020 0.04 1520.8635250 0.03 1534.8677980 0.06 1592.3132320 0.08 1626.6998290 0.03 1667.7281490 0.10 1692.1022950 0.04 1704.3702390 0.07 1708.7127690 0.02 1832.9261470 0.06 1873.9813230 0.02 1939.5255130 0.02 1976.8580320 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 321.96 Annotation Unknow Peak:m/z Relative Intensity 95.0354080 0.01 97.1705627 0.02 103.1473083 0.01 108.9465714 0.02 109.9446106 0.06 110.8854904 0.01 118.0035248 0.74 121.0549469 0.02 123.1212997 0.03 125.9681702 0.02 128.0953979 0.03 129.8589172 0.07 132.1067200 0.02 133.1252289 0.07 134.7597961 0.04 138.0929565 0.01 141.1753998 0.05 142.0232849 0.01 142.8675842 0.02 143.9756775 0.07 145.2140656 0.04 146.8067627 0.02 149.0640106 0.08 151.2837830 0.04 152.8080292 0.04 156.0401001 0.08 158.0708618 0.01 159.1157837 0.08 161.9693604 0.02 162.9838104 0.06 164.0773926 0.03 167.3845062 0.06 169.3704834 0.01 171.3671875 0.07 173.1977997 0.03 175.9800110 0.38 177.2106934 0.04 179.0398560 0.11 180.9690552 0.03 187.7416840 0.15 188.4465637 0.02 189.0661011 0.03 190.1262512 0.01 191.2008972 0.11 193.0521545 0.98 195.1855774 0.02 198.2810364 0.12 201.2860413 0.03 201.9845428 0.02 202.7576294 0.08 203.3659973 0.01 204.1961975 0.09 205.0732117 0.06 206.0284119 0.03 207.0181580 0.01 210.2605896 0.03 213.1373291 0.07 214.1361389 0.03 215.0393982 0.24 216.2418518 0.06 218.2279663 0.07 219.0711670 0.03 223.2020264 0.02 224.4884033 0.09 227.3108826 0.07 228.0339966 0.02 231.2107239 0.14 232.0324097 0.60 233.1853333 0.26 239.2554626 0.11 242.1814880 0.08 245.3917847 0.07 246.1957703 0.01 246.8195801 0.09 249.9033203 0.04 255.1311646 0.07 256.0888672 0.05 257.7480774 0.05 259.3117065 0.34 259.9362488 0.59 260.9609985 0.19 262.0725098 0.12 263.1266479 0.19 265.3050842 0.17 268.1077881 0.08 269.3639526 0.03 274.5297852 0.08 275.1309204 0.09 276.2276001 0.58 277.9678955 100.00 279.2628784 0.09 280.4439392 0.09 281.0462646 0.01 285.0656738 0.10 285.9718018 0.11 287.3775635 0.03 289.7558594 0.22 292.4468689 0.05 293.2178040 0.04 294.4448853 0.14 303.1332092 1.27 304.2197876 0.89 305.0224609 0.09 305.9859314 0.15 312.6096802 0.07 313.5779419 0.17 321.1650391 0.15 323.4088135 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 784.1486 Annotation FAD Peak:m/z Relative Intensity 241.1912842 0.43 243.4649506 0.07 255.9177246 0.04 269.4894409 0.06 272.9869080 0.37 274.1530151 0.07 328.2914734 0.16 339.1218872 0.03 346.1394958 42.18 347.0950928 5.14 347.7547302 0.02 388.3523560 0.06 408.1594849 1.90 408.7611694 0.11 409.4052734 0.09 419.2668457 0.42 423.4312744 0.18 426.3199463 0.16 437.1568604 100.00 438.1765747 17.86 455.2329712 0.19 468.1949463 0.56 492.2758179 0.08 517.2180786 3.23 518.0943604 0.92 528.2622070 0.19 532.2360840 0.09 542.1313477 0.62 543.2527466 0.14 584.4177856 0.13 611.1165771 0.11 631.7929077 0.17 645.1353149 0.11 653.4454346 0.07 662.0726929 0.05 671.4373169 0.07 686.1654663 0.07 696.6599731 0.05 699.9473267 0.05 734.4689331 0.09 739.2897949 0.04 741.6882935 0.15 743.4495239 0.03 746.7169800 0.09 747.9849243 0.18 749.1708374 0.31 764.0435181 0.22 766.0391235 0.16 766.6554565 0.48 767.4537964 0.50 785.9360962 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 447.187 Annotation Spionoside B Peak:m/z Relative Intensity 130.7346954 0.03 143.0212097 0.03 161.0828857 0.23 163.1135559 0.17 167.0771332 0.05 178.9852295 0.28 203.1045380 0.25 219.2879486 0.05 221.1241760 0.42 223.2360840 0.13 227.3059235 0.06 239.2548523 0.08 240.7919617 0.08 242.9997559 0.29 245.1647339 0.35 253.1756897 0.20 266.9373474 0.05 274.1393127 0.09 275.1335144 0.17 277.4521179 0.02 283.4094543 0.16 299.9790955 0.02 300.9333496 0.03 306.1948853 0.06 307.1504822 0.03 316.9940186 0.09 332.4052734 0.03 340.9947815 0.26 341.6231995 0.08 343.1900024 42.24 343.8404541 0.05 359.3277588 0.03 365.2563477 0.58 369.6567078 0.14 373.4217224 0.06 379.2243652 0.09 383.2261658 4.46 398.4892273 0.05 401.1280823 100.00 401.9371338 0.14 403.0975647 0.14 409.4614868 0.10 411.3577576 0.33 412.3906250 0.10 417.2317810 0.06 428.1193848 0.05 429.2253723 0.43 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 380.77 Annotation Unknow Peak:m/z Relative Intensity 177.0479584 0.05 195.9305573 0.07 212.8014679 13.03 214.8636169 0.38 266.0847473 0.03 279.0932007 0.37 291.3762207 0.11 296.6891479 100.00 297.5140686 0.05 308.9293213 0.04 310.2396545 0.18 311.9982910 0.12 312.9062195 0.05 319.0914612 0.07 320.3882446 0.11 334.7761230 41.31 351.9900513 0.07 353.0007935 0.15 362.0951843 2.81 363.1501465 14.29 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 711.1534 Annotation Fucophlorethol-B octa-acetate Peak:m/z Relative Intensity 201.0662689 0.08 204.4017181 0.03 205.1876221 0.03 206.9868927 0.06 211.2394409 0.06 213.1000519 0.10 214.1068268 0.10 215.1312256 0.18 216.3882751 0.04 217.0226440 0.05 218.1653748 0.03 219.0989075 0.06 227.0016785 0.21 228.2024994 0.05 229.3026276 0.07 231.2402802 0.04 232.1703339 0.24 233.1635742 0.04 238.0722656 0.08 239.0350647 0.03 239.8784790 0.07 241.0734253 0.02 243.1489563 0.34 245.2223663 0.05 253.1650696 0.02 255.1215515 0.13 256.1376038 0.02 257.0246582 0.06 258.2338257 0.09 260.0429688 3.36 261.0537109 0.34 266.9966736 0.05 271.0849609 0.49 273.0935669 0.56 285.0001831 0.03 285.9483032 0.02 287.2231750 0.04 289.1694336 0.56 290.4743652 0.18 291.1591797 0.19 297.9906921 0.02 299.1318665 1.06 307.3740845 0.02 313.0827332 0.03 314.1045532 0.32 315.3350220 0.07 316.0680542 0.20 317.0294800 0.38 325.2781982 0.02 326.1841736 0.02 327.1410217 0.04 329.1770020 1.16 335.1489258 1.65 343.1546631 1.11 344.1481323 9.62 347.5032349 0.03 353.0321655 9.96 359.1169434 100.00 359.9265137 0.01 383.0930176 0.15 667.4580078 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1307.5209 Annotation Thiomarinol D Peak:m/z Relative Intensity 439.0786743 0.13 439.7484131 0.35 501.4039917 0.14 505.5098572 0.29 597.8883667 0.19 607.6641235 0.13 633.3162842 0.09 673.3133545 0.15 677.4064941 0.74 717.5946655 0.58 735.2127686 0.15 747.2828979 0.07 750.9677734 0.06 788.0772705 0.14 789.4221191 0.06 793.4130249 0.49 837.6207275 0.59 895.5195312 0.03 906.3646240 0.08 908.8233643 0.29 909.5372314 0.40 913.4376221 0.31 925.7561035 0.16 934.6595459 0.06 947.5002441 0.21 953.4821777 0.66 971.6455078 24.36 983.6356201 0.07 997.5816650 0.11 999.5368652 0.34 1012.2976070 0.05 1013.6973880 0.09 1029.4149170 0.17 1067.7182620 0.75 1083.8503420 0.08 1085.5406490 6.41 1086.1682130 0.02 1098.6207280 0.16 1101.3886720 0.05 1113.5866700 0.30 1125.6108400 0.83 1126.5042720 0.05 1129.5566410 6.33 1143.6241460 7.51 1147.5847170 63.60 1159.4517820 0.10 1175.3735350 0.08 1176.7316890 0.11 1187.4820560 25.10 1188.3059080 0.47 1189.5550540 0.17 1192.5223390 0.04 1201.8562010 0.39 1203.4901120 4.01 1205.4733890 44.11 1206.2036130 0.39 1217.7202150 0.17 1218.8077390 0.43 1219.6339110 0.53 1233.1944580 0.08 1235.5561520 0.70 1245.3728030 2.94 1246.0429690 0.41 1247.5402830 1.83 1248.4995120 3.49 1249.3464360 0.06 1263.4602050 100.00 1264.1865230 0.46 1271.5710450 0.27 1274.5134280 0.31 1275.1770020 0.26 1279.8022460 0.19 1289.3591310 13.78 1290.0080570 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 993.2523 Annotation Kaempferol 3,4'-diglucoside 7-(2-feruloylglucoside) Peak:m/z Relative Intensity 287.2815552 0.03 305.3198547 0.03 315.1063232 0.02 316.1958923 0.36 323.3600464 0.03 324.1491394 0.07 329.2458191 0.03 331.1628418 2.08 373.2919006 0.11 383.2995300 0.05 416.5579834 0.07 425.2234802 0.03 447.4485168 0.03 475.0362854 0.15 483.3473206 0.09 485.3131714 0.25 491.4927979 0.06 492.6613770 0.03 493.3078003 0.43 507.1998596 0.09 527.2515869 0.05 535.4543457 0.03 544.9892578 0.07 571.5513916 0.06 584.4988403 0.03 608.3291016 0.07 637.2581787 1.03 647.3593750 0.07 648.1569824 0.07 655.2173462 19.05 655.8500977 0.16 660.6371460 0.05 667.1989746 0.03 669.3172607 0.82 696.7156982 0.02 700.1716309 0.04 703.0939941 0.02 709.3962402 0.02 734.4174805 0.03 742.6639404 0.10 787.2045898 0.02 789.2700195 0.08 792.3220215 0.05 799.2202148 0.51 801.1700439 0.03 802.4792480 0.03 803.1309814 0.06 811.5802002 0.06 815.3804932 0.02 817.2486572 8.33 818.0443115 0.02 821.4243164 0.02 831.3006592 100.00 853.3292236 0.13 871.4169922 0.10 873.4035645 0.40 886.7458496 0.16 898.0407715 0.03 906.6215820 0.03 910.5340576 0.08 916.4302979 0.05 921.4818115 0.04 924.0389404 0.04 944.6367188 0.17 945.5122070 0.07 948.5270996 0.03 961.5373535 0.02 965.5091553 0.06 974.9503174 0.21 975.7305908 0.04 976.6430664 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1273.55 Annotation Unknow Peak:m/z Relative Intensity 439.5413818 0.09 455.2794189 0.13 781.4130859 0.04 905.4361572 0.08 907.4217529 0.50 928.8260498 0.15 935.4056396 0.19 950.6547852 0.13 965.4741211 0.12 967.6230469 15.98 1009.4576420 0.09 1125.6235350 0.49 1138.1705320 0.07 1141.7045900 0.15 1143.4957280 100.00 1144.3399660 1.97 1161.4359130 0.15 1171.5725100 0.83 1182.2485350 0.05 1183.8143310 0.09 1185.4066160 0.03 1192.6158450 0.09 1229.0456540 0.04 1229.8413090 0.14 1237.4368900 0.14 1254.8880620 0.32 1255.5788570 5.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 376.81 Annotation Unknow Peak:m/z Relative Intensity 204.8688965 2.37 205.7725677 0.30 206.9169922 2.38 209.1112671 0.95 226.9531250 1.29 229.0923767 1.08 248.1853638 0.36 256.2076416 0.43 289.0653992 0.45 290.8730469 38.86 292.8283997 100.00 301.1110229 0.11 304.0100098 8.86 305.0919800 2.96 306.5558777 0.50 308.5747681 0.10 317.4090881 0.38 319.0263977 0.16 330.7831726 4.73 340.8211975 0.64 358.8954773 1.67 360.0434265 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 807.3805 Annotation Corynecandin Peak:m/z Relative Intensity 238.3805237 0.11 253.0133209 0.11 272.9268188 0.05 291.3783875 0.07 311.2263489 0.09 327.3135986 0.20 330.5543518 0.11 351.0554810 0.21 366.4764099 0.05 423.2742920 0.17 429.5706787 0.08 443.3666382 0.44 451.6638794 0.04 469.4701538 0.14 471.3823853 0.90 480.1245117 0.07 483.6895142 0.06 499.4332275 0.19 519.4249878 0.21 530.5587769 0.05 535.5205688 0.22 552.5394897 0.03 567.7091064 0.08 569.3063965 0.09 571.3217163 0.24 579.5983887 0.85 583.3944702 0.22 585.5128784 1.16 587.2827148 0.17 597.2084961 0.07 601.6365967 0.72 607.5772095 0.10 625.2178345 0.03 629.5454712 1.93 631.6376953 0.09 643.5077515 11.63 644.1160278 0.45 645.7860718 0.11 647.4870605 76.86 648.1747437 0.14 659.0064087 0.05 659.6243286 0.53 669.0670166 0.13 675.4932251 1.09 687.4873047 14.13 689.5447388 0.05 695.1008301 0.07 701.5234985 0.28 703.3124390 2.05 705.4013672 41.54 706.1778564 0.05 717.5015869 0.32 723.1251831 0.04 727.4364014 0.07 729.1972046 0.13 731.5975342 0.02 735.5687866 0.64 745.4013062 0.18 747.3678589 2.98 748.4652710 3.46 749.3383789 0.13 761.0507202 0.08 763.4545288 100.00 764.0867310 0.24 770.5051880 0.09 771.8223267 0.18 784.7175903 0.20 786.4602661 0.02 788.4841919 0.31 789.3703613 0.84 792.3870239 0.12 796.0974731 0.15 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 977.2553 Annotation Kaempferol 3-O-sinapoyl-sophoroside 7-O-glucoside Peak:m/z Relative Intensity 277.0272522 0.03 286.2820129 0.05 287.0686035 0.21 293.1398621 0.04 297.0740051 0.06 298.3560486 0.06 301.2352905 0.26 302.1252441 0.30 310.1735229 0.02 314.3314209 0.05 315.2181702 0.05 317.0854797 0.39 323.5244751 0.05 324.9851074 0.06 327.5412598 0.04 329.2593079 0.97 330.2587891 0.22 331.2441406 0.39 339.0422974 0.06 341.1166992 0.25 342.0840454 0.02 343.2213135 0.16 344.0660095 0.84 345.1249084 2.02 351.0395508 0.08 353.1184692 0.05 354.1889343 0.03 355.3671875 0.12 355.9811096 0.06 359.0274963 0.40 366.2297058 0.05 367.3073730 0.04 369.3432312 0.11 371.1047974 0.14 377.0297546 0.01 381.2823486 0.05 386.0898743 0.17 387.2674561 0.51 393.2608643 0.04 397.4354248 0.02 399.2909851 0.05 400.6575317 0.10 401.2929077 0.11 413.0592041 0.09 417.4016418 0.05 426.1278076 0.02 437.3369751 0.09 451.1721802 0.07 453.0069580 0.32 463.4528809 0.10 469.5070190 0.09 470.9379272 0.07 483.3346558 0.05 491.5473633 0.08 499.2717896 0.38 501.4713745 0.10 504.9219971 0.04 505.7221069 0.11 506.9962769 0.07 509.3023682 0.03 519.2188110 0.08 527.1005249 0.04 533.3754883 0.12 559.5748901 0.04 571.5247192 0.09 578.3681030 0.02 599.3979492 0.06 603.4707642 0.05 617.3482056 1.54 622.2145386 0.10 631.2844238 0.96 633.1652832 0.53 635.2188110 0.08 636.1405029 0.05 639.3458862 0.21 651.2952271 1.64 665.3499146 0.09 669.4105835 0.70 683.1541138 0.08 695.4691772 0.04 711.5772705 0.08 715.7094727 0.04 737.0137329 0.02 741.3267212 0.13 747.2623901 0.02 751.4171753 0.17 753.4072876 0.18 755.1898804 0.11 757.2377319 0.02 768.5731812 0.52 769.5022583 0.73 783.2540283 35.91 786.0842896 0.02 797.2843628 0.96 799.7413940 0.03 801.2380371 100.00 801.9321899 0.26 809.2058105 0.02 815.3041382 17.18 815.9261475 0.09 827.2167969 1.23 841.4458618 0.16 844.4660034 0.02 845.2506104 0.88 901.1017456 0.02 917.3723755 0.06 918.3970947 0.06 941.6709595 0.02 944.2568359 0.02 945.3678589 0.79 946.3693848 0.26 949.3483276 0.04 958.9194946 0.03 962.3327026 0.85 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 615.1725 Annotation Unknow Peak:m/z Relative Intensity 176.1908112 0.06 178.9831085 4.01 187.1682129 0.20 199.2143250 0.25 205.2217102 0.06 215.0191345 0.58 216.0655823 0.10 217.4997864 0.04 223.4699707 0.06 233.2122192 3.21 243.2375946 0.06 245.0802307 0.69 290.2582703 0.86 295.2039795 0.18 305.2754517 0.19 306.3903809 0.11 308.0861206 100.00 309.3369751 0.35 317.1002197 0.09 349.7179565 0.09 362.2804565 0.04 380.9938965 0.10 392.8221436 0.15 397.3428955 0.08 398.7639771 0.25 411.3220825 0.06 412.4959106 0.19 416.1519165 0.09 434.2472534 0.10 435.0580444 0.07 437.1023560 0.07 456.0917969 0.33 461.3334961 0.35 477.2233887 0.16 483.3109131 0.17 485.3270874 0.11 486.1386719 0.36 496.6466675 0.18 520.7110596 0.13 525.1021118 0.25 538.6454468 0.13 571.2258911 0.20 578.8110352 0.07 581.3255615 0.31 585.5532227 0.05 596.8781128 0.11 597.8609009 0.05 614.5562134 0.11 615.8955078 0.21 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 407.1723 Annotation Vernoflexuoside Peak:m/z Relative Intensity 115.9644165 0.09 125.1303864 0.06 130.2473145 0.04 136.1806946 0.03 141.9619446 0.37 143.0503082 0.19 157.3905640 0.04 159.1080322 1.33 161.0550232 0.07 162.1827545 0.04 163.2702332 0.19 172.0379944 0.02 173.0807800 0.04 179.6957703 0.06 185.9774323 0.14 193.5957031 0.04 194.8821564 0.10 199.1873474 0.08 203.0726166 100.00 207.8955383 0.13 209.1275330 0.03 211.1428375 0.13 223.0401917 0.14 226.2124634 0.10 227.2855072 0.05 231.2326660 0.19 241.0817261 0.02 242.0305481 0.04 243.2273254 0.31 244.1504822 0.17 245.1307983 0.15 248.9423828 0.44 259.2092590 0.22 267.1740112 1.79 269.9581604 0.31 275.1365356 0.10 277.9174194 0.09 285.3813171 0.03 288.9810791 0.17 301.3940430 0.05 303.4498901 0.04 311.2380066 0.05 318.1802368 0.04 319.0788269 0.09 321.4733276 0.09 323.2846680 0.07 324.3084106 0.33 325.3286133 0.26 326.1182556 0.15 331.1064758 0.07 335.3146667 0.05 337.7126160 0.06 339.1323853 0.34 342.2617798 0.03 344.3092041 0.10 345.3559265 0.81 347.5164185 0.04 350.1666260 0.06 353.4886475 0.25 359.1628723 0.06 360.4333801 0.25 361.2393799 0.54 363.2150574 0.21 367.7968445 0.18 370.2286072 0.11 371.2984314 0.09 372.3597412 0.09 373.3112793 0.02 374.0795898 0.04 374.9075012 0.11 378.3125305 0.13 379.0545044 0.04 388.2600098 0.47 389.2264709 1.88 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 588.2422 Annotation Unknow Peak:m/z Relative Intensity 166.9683533 0.36 175.1194000 0.09 178.9330139 1.14 200.9275513 0.37 202.7969055 0.17 206.8281860 0.11 221.0859833 0.86 225.0184021 0.19 241.1296387 0.11 243.1162720 0.22 244.6916351 0.08 258.3298950 0.13 263.3877258 0.44 270.2865295 0.09 277.1237488 0.34 283.1585693 0.15 299.1547241 0.47 306.4971313 0.18 309.3925171 0.09 323.1755981 13.69 345.0369263 0.14 349.4814453 0.12 363.3115234 0.12 376.3900146 0.14 381.1565552 0.20 383.3701172 0.24 399.1893921 0.06 407.2474976 0.19 413.3217773 0.09 420.9731445 0.06 426.3864746 0.73 455.6875000 0.22 463.1281128 0.05 495.0432129 0.13 497.3461304 0.31 505.2100830 0.20 506.2187500 0.41 507.3540649 1.89 507.9733276 1.23 508.7903442 0.37 512.4153442 0.35 514.3163452 0.17 515.2655640 0.93 527.5767212 0.85 531.3176270 0.27 536.4395752 2.97 537.5770264 0.28 541.9846191 0.07 542.6951294 0.08 543.5591431 1.49 544.5941772 1.72 551.9449463 0.23 555.4005127 0.89 556.1939697 0.23 557.4520264 0.33 558.8214722 1.17 565.1518555 79.14 566.0923462 6.38 567.0064697 1.23 568.2343750 0.29 569.2933960 1.04 570.1294556 0.28 570.8720703 0.08 571.6970825 0.40 573.3032227 0.20 574.2880249 0.09 575.5208130 0.18 576.7327271 0.13 579.8239136 0.12 582.3288574 0.23 629.5463257 1.02 647.4908447 4.97 671.6235962 0.14 687.3303833 1.13 705.3849487 3.66 763.4461060 3.67 777.6248779 0.18 778.6942749 0.23 807.3626099 100.00 808.0538940 1.43 849.4492798 1.04 923.4255981 0.11 933.1101685 0.26 941.4020386 0.13 953.4823608 0.08 971.6073608 0.17 998.4288940 0.30 1001.3613890 0.51 1002.6185910 0.19 1011.4371950 0.26 1044.6040040 0.16 1131.4661870 2.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 488.1763 Annotation Unknow Peak:m/z Relative Intensity 144.9258118 1.05 149.9998016 8.73 160.8531952 0.14 176.9809265 15.99 181.1210632 0.25 182.2648926 0.16 189.0874939 0.13 195.0382080 0.40 205.1737976 0.44 217.3345337 0.27 221.3176727 0.82 230.1707458 0.37 235.2471161 0.06 241.3273010 0.25 242.2142029 0.11 243.4710999 0.76 249.0852966 0.11 251.2548218 0.07 257.2756653 0.16 260.3936768 0.19 261.1228333 0.22 266.1926270 0.92 267.9382629 0.14 270.1911621 0.17 274.3766479 0.07 279.2684326 0.27 284.0901794 0.22 287.1410522 0.08 295.0173645 0.18 297.1094666 0.19 303.2285767 0.26 306.1367798 0.26 307.1616516 0.19 309.2295227 1.78 310.3760071 0.46 313.2395935 0.19 319.5080872 0.20 321.1270447 11.84 325.4065247 0.17 326.2239990 0.32 330.1421204 0.53 333.1291809 0.31 339.0492859 100.00 341.4669800 0.47 351.7101746 0.28 353.7310791 0.50 355.2112732 0.48 359.1602478 0.34 359.8204956 0.55 370.1142578 0.22 371.1376953 2.33 373.0660400 0.32 381.0111694 0.22 383.4510803 0.30 385.3159790 0.22 390.9582825 0.44 393.2394714 0.16 394.8973083 0.71 399.0550842 0.07 399.6559448 0.31 406.3608704 0.14 424.0414429 0.30 425.1295471 0.33 427.3430176 0.39 429.2456055 1.49 430.1274719 0.70 431.1420593 0.35 432.8816833 0.58 433.8928528 0.56 442.2367249 0.85 443.4197693 0.18 444.1111755 0.64 446.4837036 0.08 447.1024170 0.08 452.4741821 0.40 453.5763855 0.26 455.3674011 0.87 456.4518433 0.24 459.2221985 2.40 460.1982117 1.36 466.5177612 0.59 469.2277222 2.92 470.3181458 2.63 471.2279968 0.50 472.3752136 0.13 477.0675354 0.76 479.0285950 0.52 480.1220093 0.55 481.1797180 0.52 487.6376038 0.18 488.2926941 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 559.3123 Annotation Daechuine S7 Peak:m/z Relative Intensity 161.2952728 0.09 197.2361755 0.05 199.0930176 0.07 235.1972046 1.85 253.1859894 7.00 254.3302612 0.43 259.0877991 0.13 277.3004761 72.12 278.2975464 7.69 278.9314575 0.03 307.1780396 0.09 316.9279785 0.07 333.2521362 0.10 359.4761963 0.04 363.5421143 0.05 376.3988037 0.05 446.3468018 0.11 461.3506470 0.07 462.3033447 0.12 473.2687988 0.04 479.8017578 0.30 482.2657471 0.28 488.3324585 0.23 493.4103394 0.28 497.4089966 0.20 498.5815430 0.19 503.4667358 0.08 513.1740723 100.00 514.2861938 14.42 515.7221680 0.23 522.1225586 0.12 524.1718750 0.67 525.5717773 0.07 542.7272339 0.17 552.0335083 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0713 Annotation 7-Hydroxy-3-Methylflavone Peak:m/z Relative Intensity 125.103363 2.14 143.0137939 0.87 146.2437744 1.54 160.9094696 10.55 165.1739807 2.19 167.2676544 1.70 168.9320526 3.67 175.151947 0.71 179.2827911 1.40 180.8947754 1.02 182.925705 2.68 189.0168762 2.97 191.0051117 0.96 193.0084534 0.71 195.5297852 1.35 206.360733 4.74 207.1580658 9.85 207.9417572 3.44 209.3122101 9.67 210.9528961 1.54 214.9241333 13.65 218.9889374 0.76 221.9971619 2.22 223.0306702 9.49 231.3311005 1.25 233.2032318 7.22 235.3060455 3.17 236.1560516 0.57 251.0734406 100.00 252.0430756 10.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1333.5345 Annotation Unknow Peak:m/z Relative Intensity 439.3098145 0.55 501.4557495 0.08 673.6518555 0.07 747.1633301 0.11 789.3017578 0.13 793.7935791 0.16 794.4891357 0.21 837.2933350 0.08 893.4210205 0.74 894.1419678 0.16 935.3924561 0.10 937.5512695 0.14 979.4863281 0.83 980.9677734 0.12 997.5710449 25.65 998.6232910 4.44 1026.3623050 0.13 1038.9765620 0.28 1051.8562010 0.16 1093.6173100 0.43 1094.6832280 0.53 1107.9486080 0.13 1109.8511960 0.10 1110.8270260 0.38 1111.5073240 6.11 1112.4056400 1.39 1139.0546880 0.28 1140.9390870 0.12 1151.5648190 0.20 1152.3986820 0.15 1155.4366460 6.91 1156.5521240 0.83 1157.4775390 0.09 1165.3975830 0.08 1169.0627440 0.96 1169.7048340 4.98 1170.6140140 0.63 1173.5246580 59.96 1174.6590580 8.90 1181.4638670 0.59 1185.5777590 0.58 1201.3352050 0.59 1213.4792480 27.72 1214.5842290 3.27 1227.6455080 0.09 1229.4223630 6.61 1231.4765620 46.06 1232.5181880 9.24 1243.4023440 0.41 1244.7412110 0.56 1245.5391850 0.14 1246.6347660 0.17 1257.4332280 1.15 1258.2285160 0.26 1258.9006350 0.27 1261.5273440 0.35 1262.6195070 0.24 1271.2983400 3.11 1272.2919920 0.56 1273.4552000 1.89 1274.3923340 8.80 1275.2607420 2.23 1289.4667970 100.00 1290.6209720 20.38 1297.4271240 0.10 1305.6824950 1.34 1315.3608400 14.79 1316.3209230 3.17 1316.9260250 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 638.6 Annotation Unknow Peak:m/z Relative Intensity 213.0670776 0.16 214.8066101 0.03 223.1179199 0.14 224.0664062 0.02 231.9976044 0.06 234.0874023 0.02 258.8466797 0.03 290.6171265 0.15 292.3039551 0.05 308.9208374 0.02 313.1894226 0.03 335.1803589 0.03 337.0441284 0.02 348.9581299 0.07 354.1185303 0.05 382.9057007 0.02 385.0991211 0.04 387.0141602 0.03 394.3070679 0.04 442.4129028 0.05 448.8341064 0.03 454.5950317 0.22 467.2464600 0.11 468.7819824 0.06 470.7244263 4.85 473.7559204 0.07 474.8601074 0.02 484.2332153 0.11 498.4208984 0.03 500.0722656 0.16 500.9254761 0.05 502.6700439 0.30 507.8012085 0.05 527.1985474 0.03 532.0585938 0.03 538.1307983 0.11 540.1729126 0.23 540.8961792 0.02 551.5276489 0.07 552.6301880 0.84 554.6105347 100.00 555.3452759 0.05 559.6028442 0.02 564.1118164 0.02 566.5932617 0.04 569.0737305 0.08 570.2063599 0.17 570.8948975 0.31 573.3097534 0.06 574.0114136 0.04 584.6699219 0.02 591.6754150 0.29 593.0723267 0.06 595.7888794 1.24 596.7299194 1.61 597.7033081 0.03 604.8262329 0.11 615.0459595 1.17 615.6719971 0.01 618.0632935 0.02 619.9032593 0.61 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 960.4241 Annotation Unknow Peak:m/z Relative Intensity 268.8377380 0.23 269.4928284 0.06 283.3405457 0.31 286.1715393 0.16 291.3395386 0.12 292.5433044 0.21 295.0109253 0.28 297.3311462 0.12 299.3020630 0.26 305.0843811 0.16 319.6126709 0.17 323.2572632 0.08 329.0030823 0.06 330.0364990 0.23 333.1305542 0.05 340.4052429 0.15 341.5483093 0.14 343.6129456 0.29 355.4848938 0.07 361.4974365 0.45 373.3658142 0.09 377.5620728 0.26 379.3769836 2.02 380.3146362 0.19 381.3441162 0.19 390.0015869 0.11 393.3334351 0.21 395.4589233 0.28 396.2167969 0.15 397.3861084 1.52 399.4671021 0.46 400.3382568 0.52 411.3395386 1.76 412.2200317 0.07 413.1311340 0.13 419.4907837 0.27 420.3184814 0.31 422.4950562 0.43 423.1636353 0.09 425.4743042 0.06 429.3338623 1.30 430.3811035 0.06 431.4353027 0.26 432.7184448 0.28 437.4562988 1.86 438.3698120 0.77 440.4634399 0.49 441.3842773 0.13 447.1641846 0.09 454.5988770 1.33 455.3472290 4.76 456.4157715 1.72 457.4876709 0.18 465.3524170 2.42 466.2254639 0.82 466.9827881 0.08 469.2805786 0.07 472.4538574 2.76 473.3956299 1.70 474.2023315 0.20 483.3048706 4.21 484.3495483 1.13 500.3140869 12.86 501.3562012 9.98 502.5913696 0.22 516.5858765 0.07 518.3700562 49.84 519.4682617 14.97 520.6406250 0.16 536.3234253 100.00 537.4370117 23.96 538.5905151 0.10 543.5305176 0.08 560.5715942 0.89 561.2929077 0.11 564.4520264 0.16 565.3677979 0.09 566.4737549 0.34 578.0421753 0.33 578.9112549 0.84 579.5654297 0.33 582.3894653 0.40 583.4311523 0.54 584.2921753 0.03 602.6708374 0.33 603.4006348 0.36 604.2743530 0.12 608.2736206 0.34 609.6392822 0.16 620.2368774 0.20 626.3502197 0.60 627.3365479 0.30 644.2011719 0.10 645.2365112 0.32 667.9888306 0.27 686.3272095 0.21 694.6513062 0.06 695.5371094 0.16 698.6962891 0.14 712.3825073 0.47 713.2196045 0.52 722.3560791 0.20 730.5267944 1.53 731.5606689 0.29 736.4206543 0.55 740.4672241 1.21 741.5256958 0.24 748.4240112 1.17 749.5726318 0.57 754.2143555 0.93 755.5771484 0.17 766.3956909 6.15 767.5765381 0.66 768.4400635 0.18 784.3141479 41.16 785.4338379 13.13 786.7421875 0.20 830.1763306 0.13 844.6178589 0.09 862.4580078 0.19 863.2263794 0.27 864.3641968 0.36 870.4539185 0.16 872.3253784 0.45 872.9588013 0.63 874.6117554 0.37 883.4350586 0.23 888.4566040 0.18 890.0036011 0.43 898.3495483 0.28 906.1226807 0.23 907.4387207 0.54 908.4570923 0.03 911.3997192 0.33 914.6730347 0.18 916.1622925 0.87 917.4914551 1.29 918.3829956 0.14 924.2081299 1.59 925.3829346 1.14 928.9528198 0.38 929.5617065 0.09 942.3150024 10.66 943.3728638 6.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 968.9236 Annotation Unknow Peak:m/z Relative Intensity 311.2324829 0.12 315.1518860 0.13 319.2824707 0.12 331.3982544 0.57 337.3249512 0.43 351.7409668 0.95 354.1953430 0.63 355.2641296 0.62 355.9369812 0.17 363.4449463 0.80 371.4036560 0.19 381.5975952 0.69 406.1679688 0.19 407.2127686 0.47 409.4887085 0.25 414.3115845 0.09 420.3487549 0.38 428.2466431 0.77 433.2653198 0.29 442.4652100 0.33 446.2715454 0.13 452.0528564 0.85 469.5267334 0.22 470.3449097 0.37 471.3259277 0.89 481.3435059 0.84 489.1422119 0.71 494.1314087 0.09 509.4747314 0.11 510.2775879 0.33 511.3526611 0.18 526.3182373 0.50 537.7891846 0.44 549.6873779 0.16 559.5366211 0.56 561.5228271 0.67 568.8670654 0.48 572.5007935 1.09 578.3940430 0.81 591.3989258 0.60 602.3107300 0.52 607.1674805 0.11 619.2160034 0.10 637.5484009 0.19 644.2123413 0.50 646.6216431 0.57 656.1494751 0.22 659.9347534 0.52 669.5610962 1.61 672.1012573 0.72 677.0380249 0.20 679.4166870 0.35 680.7564697 0.63 690.2976685 0.11 695.3212280 0.22 698.7857056 0.90 700.9091797 0.45 703.5053101 0.10 707.6054688 0.41 724.4528809 0.55 732.5256958 0.25 735.5687256 0.29 740.7677612 0.80 742.5870972 0.18 747.6428223 0.15 753.3856201 0.56 764.7460327 0.95 765.7224731 0.12 767.6151733 0.26 771.5375366 0.21 778.6160278 1.43 779.4419556 0.46 784.8335571 0.12 793.3037109 1.04 794.1415405 0.08 798.0463867 0.59 799.0946655 0.74 800.4456787 0.66 802.1895142 0.13 809.5480957 0.37 811.9740601 1.56 838.5558472 0.14 839.8185425 1.22 840.8150024 2.06 842.8853149 1.22 846.1416626 0.24 847.6087036 2.15 849.3020630 1.28 849.9523926 0.29 851.3553467 0.11 857.1688843 1.70 860.1751099 0.26 860.8805542 0.46 862.0248413 1.22 865.5518188 0.19 867.7745361 0.61 870.7134399 1.80 871.9295044 1.61 872.8060913 0.50 876.1451416 0.18 877.2686768 0.77 879.2376099 3.15 880.0989990 0.56 881.3487549 4.73 882.8470459 3.34 884.1054077 2.73 886.0082397 0.43 886.7686157 1.15 890.6915283 4.03 891.9531860 0.27 893.0958862 4.34 896.5881958 4.58 897.4371948 5.55 898.4533081 1.05 900.1499634 3.29 901.3634644 4.73 902.2142334 0.92 903.0935669 4.56 904.3784790 9.65 905.5049438 4.83 906.5093384 1.18 907.3230591 5.05 908.5242310 7.49 909.2349243 24.95 910.0442505 2.26 911.6160889 12.84 912.5132446 2.23 913.4871826 6.98 914.5069580 10.70 915.8351440 8.12 916.5654907 9.99 917.3522339 2.54 918.3823853 8.62 918.9982910 1.98 920.4649048 3.33 921.2981567 5.32 922.3236694 9.23 923.2079468 1.26 924.3749390 3.45 925.0026245 2.22 926.1156616 3.57 926.8956909 4.00 928.5968628 11.44 929.7630005 14.34 930.6691284 7.02 932.2836304 9.43 932.9555664 10.14 933.6564331 7.67 934.6201782 5.53 935.5947876 5.80 936.2163696 9.85 937.1999512 23.51 938.1801147 11.86 938.9437866 2.06 939.7703247 7.02 940.7461548 15.89 941.5678101 19.09 942.2563477 8.18 942.9393921 5.00 943.7359009 3.37 944.5674438 1.62 945.3784180 5.91 946.1787109 5.06 946.9216309 1.05 947.6477051 5.45 948.7352905 2.42 949.8054810 12.35 950.4848022 9.61 951.9114380 6.24 952.5928345 16.43 953.6178589 7.58 954.2905273 66.21 955.1472778 7.59 956.6786499 100.00 957.4221191 20.26 958.5701294 89.81 959.3086548 10.50 960.3342896 1.62 961.0183716 25.29 961.9923706 2.01 963.0913086 0.36 964.1491089 0.28 966.5239868 0.90 970.6621704 0.22 974.7269897 0.32 979.9559937 0.98 984.5525513 0.70 985.9078979 0.35 999.1291504 0.30 1001.7471310 3.44 1002.7819210 1.71 1003.6312870 0.36 1008.0874630 1.65 1009.6779170 0.47 1010.7958980 0.35 1013.1318360 3.51 1024.1104740 1.10 1026.5607910 0.93 1027.4792480 0.39 1028.5213620 0.19 1030.8062740 1.20 1031.9466550 0.79 1033.1843260 1.09 1034.2866210 0.34 1036.1550290 0.47 1037.9821780 0.36 1040.3973390 1.85 1041.1121830 0.71 1044.1416020 1.11 1047.3624270 0.76 1048.4836430 1.14 1049.8227540 2.81 1053.1601560 2.26 1055.1169430 1.44 1056.1069340 3.22 1057.3404540 0.82 1058.1831050 0.87 1059.3951420 0.73 1060.1087650 1.38 1061.9207760 1.24 1068.2474370 1.04 1071.0617680 0.75 1075.0257570 0.35 1080.2827150 1.71 1081.5883790 0.43 1082.2956540 1.57 1083.9234620 0.85 1087.4396970 1.10 1088.2333980 2.46 1089.0483400 0.20 1089.8352050 1.16 1090.8885500 0.26 1092.7143550 4.36 1093.8127440 0.39 1095.4689940 0.68 1098.6567380 0.86 1101.0922850 0.55 1101.6977540 0.61 1103.9521480 2.47 1104.6948240 0.76 1105.5574950 1.14 1107.2607420 0.40 1108.0788570 1.37 1108.7810060 1.51 1110.8286130 1.47 1111.9820560 1.71 1115.7138670 4.36 1116.4021000 2.77 1117.2297360 4.75 1117.9619140 0.29 1120.1499020 3.30 1120.8793950 1.05 1121.4965820 0.98 1123.3483890 4.53 1124.4401860 2.34 1125.2324220 1.59 1127.1745610 3.29 1128.1401370 0.90 1130.0899660 0.79 1130.7312010 7.12 1132.0911870 2.85 1132.7542720 0.55 1135.1470950 1.13 1136.4443360 4.89 1137.1542970 1.91 1138.7536620 1.48 1139.3989260 1.77 1140.3603520 1.13 1141.6572270 0.78 1142.2989500 2.81 1143.2911380 2.02 1145.5235600 4.10 1146.3754880 1.36 1148.1083980 3.14 1149.6268310 0.81 1150.4677730 0.71 1152.3952640 2.29 1153.7935790 0.84 1154.5430910 2.01 1155.6811520 0.59 1156.4012450 3.23 1157.7679440 4.85 1159.7437740 2.37 1160.6066890 1.54 1161.6105960 3.54 1162.3833010 1.79 1163.6630860 2.53 1165.5883790 2.79 1166.6738280 1.32 1167.5966800 3.56 1168.5554200 6.86 1169.1936040 8.38 1170.8034670 6.59 1171.8901370 3.27 1173.4862060 5.29 1174.9689940 4.96 1176.0400390 6.48 1176.7100830 2.27 1177.9143070 2.89 1179.5751950 5.47 1180.3338620 0.64 1181.6467290 2.10 1182.3339840 0.12 1183.1846920 3.93 1184.1210940 5.61 1185.3935550 3.37 1186.3530270 3.81 1187.4477540 2.59 1189.9545900 11.78 1190.9588620 0.65 1191.6363530 2.92 1192.7210690 4.99 1193.7432860 2.34 1194.4676510 2.26 1195.8398440 2.37 1197.3889160 6.70 1198.5869140 2.87 1199.6368410 2.49 1200.4199220 6.80 1201.7355960 3.93 1202.9428710 11.02 1203.9204100 2.56 1205.5502930 7.81 1206.3996580 10.41 1207.8435060 4.93 1208.9268800 12.18 1209.9990230 4.65 1211.3912350 14.91 1212.0329590 4.77 1212.6384280 0.88 1213.7670900 5.17 1215.4179690 12.95 1217.1507570 7.25 1218.6833500 4.27 1219.4841310 3.27 1220.4678960 7.16 1221.2850340 0.15 1222.4818120 10.07 1223.7585450 9.58 1224.5080570 4.31 1225.6635740 11.74 1226.5982670 5.98 1227.5812990 4.96 1228.6002200 2.32 1229.6528320 10.74 1230.6782230 2.49 1231.2790530 1.51 1232.2788090 13.14 1233.4541020 4.12 1234.4187010 1.27 1235.4860840 4.05 1236.1148680 1.01 1237.6335450 15.17 1238.4855960 27.54 1239.7709960 2.05 1241.2233890 10.33 1242.0974120 3.15 1243.3743900 15.37 1244.2740480 26.10 1245.0585940 8.64 1248.1109620 6.11 1249.2229000 34.14 1250.0361330 4.70 1250.7507320 7.76 1252.5175780 1.80 1254.5048830 29.31 1255.4426270 22.15 1256.2006840 1.47 1257.8383790 2.25 1258.6002200 1.88 1260.3674320 16.29 1261.5332030 1.82 1264.9094240 2.00 1267.2335210 0.31 1268.9349370 1.13 1273.4531250 0.69 1274.6188960 0.80 1277.4934080 0.46 1279.3533940 0.28 1281.3741460 1.56 1291.0494380 0.78 1301.9443360 1.13 1306.1806640 0.59 1310.4945070 0.70 1329.1755370 0.43 1333.8082280 0.43 1335.5382080 0.53 1336.5469970 0.34 1344.4813230 0.82 1364.7828370 2.10 1369.9931640 0.49 1372.7120360 1.42 1383.1458740 0.68 1386.7122800 0.38 1390.5064700 0.44 1392.6483150 0.16 1395.9395750 0.64 1403.3969730 0.13 1405.2747800 0.19 1407.4708250 0.69 1411.6370850 0.97 1423.3795170 0.81 1425.6574710 0.26 1430.6727290 0.65 1432.1882320 0.61 1439.3995360 0.54 1440.2661130 1.68 1444.5087890 0.46 1449.5339360 1.72 1453.6605220 0.39 1459.5615230 0.24 1480.5399170 0.85 1484.8673100 0.55 1487.2115480 0.53 1496.7193600 0.09 1501.5494380 0.97 1508.0523680 1.20 1509.9713130 0.72 1511.0460210 1.53 1520.0017090 0.33 1520.6088870 0.80 1530.1555180 0.36 1535.4720460 0.12 1555.0272220 0.36 1558.4133300 0.51 1570.2121580 0.23 1573.6734620 0.97 1576.2971190 0.56 1580.1822510 0.46 1582.3350830 0.77 1583.1041260 1.22 1590.8404540 0.79 1592.5854490 0.18 1594.9417720 0.69 1597.4747310 0.32 1599.9373780 1.36 1601.2871090 0.64 1609.0258790 0.23 1624.3557130 1.49 1626.0887450 0.67 1631.2868650 0.22 1632.4554440 0.93 1640.8004150 0.53 1642.9439700 0.81 1646.2531740 0.19 1652.2727050 0.55 1653.9890140 0.42 1666.6556400 0.13 1667.4904790 0.51 1690.2977290 0.47 1692.4934080 0.21 1693.3781740 0.78 1699.1700440 0.79 1700.1793210 0.57 1704.3917240 1.08 1708.0372310 0.53 1712.9021000 0.24 1724.9963380 0.84 1728.8917240 0.14 1745.5690920 0.53 1782.7658690 0.41 1786.3260500 0.36 1788.1364750 0.59 1791.6345210 0.18 1800.6081540 0.85 1872.7336430 0.49 1970.8054200 0.39 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 451.1644 Annotation Unknow Peak:m/z Relative Intensity 152.7932739 0.74 180.9436340 0.50 182.7396851 0.25 241.0052795 61.57 242.0831299 4.78 242.8852844 0.64 253.3334961 1.27 257.0465393 26.44 259.0706177 1.76 283.2062378 0.69 284.9804688 0.80 299.1640625 100.00 300.0010376 4.87 305.0647583 0.27 319.2069702 0.86 341.8455811 0.58 349.4900513 0.76 381.2037048 0.66 395.0221252 1.00 405.3006287 1.24 407.2411804 1.76 415.0002747 2.09 422.1438904 0.36 433.2422791 2.50 436.4157410 3.96 437.3471985 0.86 451.4318237 2.67 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 499.0639 Annotation Unknow Peak:m/z Relative Intensity 156.0581360 1.05 159.0833130 1.90 160.1385956 0.09 170.0289154 0.16 173.9466248 0.07 175.1781158 0.10 177.0660858 0.16 184.0543671 0.15 185.1839600 0.16 187.1892395 1.62 196.8211060 0.06 199.0488892 1.10 200.1142273 1.26 201.2019958 0.21 216.1026764 0.08 217.0531921 0.43 227.9868927 0.50 239.4584045 0.20 244.1560669 0.65 248.9793091 0.23 251.2600555 0.05 260.3288269 0.21 261.3941345 0.50 275.2976379 0.09 278.3461609 7.91 279.2463074 0.56 283.2746277 0.49 285.1924744 0.14 291.3785400 0.21 294.1723328 0.16 299.7905884 0.09 300.5493774 0.57 309.4214478 0.06 311.3778076 0.36 313.3796387 0.64 316.9505615 0.23 321.2098694 0.24 323.0196838 0.44 323.6239624 0.14 324.6333313 1.04 327.3519287 0.14 331.2686768 0.10 334.0526733 1.03 336.9579468 0.49 337.7227783 0.24 339.2313538 0.84 340.3982544 2.66 341.0143433 2.33 348.9254761 0.10 351.3903809 0.34 353.9603271 1.17 354.7858887 0.31 359.2660522 1.59 360.0509949 0.16 360.9634094 1.03 366.5345459 0.41 368.5827026 0.46 372.0672607 4.03 372.9494934 0.39 377.8151855 0.32 379.3295898 0.08 380.2756348 0.57 382.3942261 0.38 386.9253845 0.19 388.4714050 10.77 389.5631714 0.34 391.7204285 2.45 394.2628479 0.17 395.2253113 3.78 396.2714233 0.06 397.2411194 0.09 398.0503235 0.08 401.1636658 7.75 403.7313843 0.17 407.9339905 1.30 410.0335388 0.11 413.9421082 0.14 416.9815369 100.00 417.8728333 6.20 418.7947083 0.19 419.4833069 0.67 420.2862854 0.09 423.4245911 1.66 425.5171814 4.08 426.2603149 0.73 428.8148499 7.71 429.9491577 0.43 432.7390442 2.21 434.8994446 5.64 436.1931458 0.91 438.2366638 38.14 439.1541443 1.18 440.3868408 0.77 441.1437683 0.57 441.9557190 0.36 444.1175842 19.15 445.2244568 2.10 446.4427185 0.15 447.7912903 0.41 448.6682739 1.00 450.8944702 0.37 451.6035461 0.28 452.4333191 0.33 454.3546448 4.57 455.1136780 0.57 457.6539612 0.47 458.4745178 1.37 460.4375000 7.53 461.2569275 2.21 463.4867859 0.21 465.0598450 1.30 467.1412048 6.45 467.9774475 1.24 469.5496216 0.28 470.5885620 0.41 473.2542114 7.37 474.5096130 0.59 475.2331848 1.71 478.9190979 1.32 480.2673950 3.01 481.0915833 3.42 482.0030212 0.94 482.9480591 0.26 483.7986145 0.30 485.2452698 2.13 486.3291626 9.71 487.3307495 1.32 488.7817688 32.30 489.7048035 0.50 490.9102478 0.53 492.2179260 38.63 493.1773987 0.74 494.7390747 0.11 496.1559448 0.19 498.7792358 0.07 500.1084290 0.08 502.0462341 0.06 506.3922729 0.65 509.1322327 1.02 510.1880798 6.16 511.0162048 0.03 511.7499084 0.16 514.0985107 0.42 520.3211060 0.54 521.4370117 0.36 527.7651978 0.32 529.5963745 0.63 530.4226685 1.17 532.2892456 1.27 532.9887695 1.54 533.8577271 0.29 534.8478394 0.34 536.2889404 0.08 538.5807495 22.34 539.5952759 3.05 540.2893677 0.41 542.3518677 8.23 543.4545898 0.50 544.8056030 5.80 545.6923218 0.91 546.5679932 0.06 548.2760620 25.83 549.6206665 0.79 550.9872437 0.81 552.0353394 1.05 552.8612061 0.57 554.3108521 20.29 555.0855713 0.04 556.4424438 0.14 557.5589600 16.66 558.2988281 3.89 559.0457764 0.19 561.8334351 0.32 562.5939331 1.24 563.2438965 1.02 564.4120483 0.14 565.1236572 0.69 566.0322266 0.19 567.2807617 3.16 568.7755737 0.26 569.7356567 0.08 571.9149780 0.51 572.9701538 0.63 573.6007080 1.24 576.6647339 2.32 577.5534058 0.40 580.3292236 1.21 581.1149292 8.42 582.1283569 72.08 583.0215454 9.07 584.3340454 0.41 585.1251831 2.37 586.1642456 0.45 587.0114136 0.12 590.1557617 2.35 592.0095825 4.48 592.8137207 1.33 594.0612793 0.50 594.8012085 0.09 595.5919800 0.21 596.8526001 0.39 598.5939331 0.44 599.4585571 0.39 601.1354980 11.21 602.1918335 1.33 603.1627808 0.22 606.4926147 0.18 607.3687744 0.17 609.9898071 0.22 615.4561768 0.11 616.6384277 1.18 617.3566895 0.12 619.5436401 0.27 624.1952515 0.32 628.7993164 0.42 631.4433594 0.45 634.3915405 0.07 637.7424316 2.92 638.6766968 0.42 643.2913208 0.06 644.4219971 2.19 645.2293091 1.08 646.3096313 3.30 646.9468384 2.87 647.7055054 1.54 648.4367065 0.40 649.2193604 0.34 650.5202026 0.22 656.7961426 3.28 658.2262573 0.39 659.5319824 0.08 660.6030884 0.10 661.7464600 0.30 662.5551758 0.35 665.6388550 9.98 666.5126343 1.81 667.8783569 0.33 668.5564575 0.41 671.4328003 0.14 672.1930542 0.24 672.9258423 0.41 677.3288574 0.92 678.0087891 0.28 678.6876831 0.37 681.0711060 2.14 681.7804565 0.54 685.9987793 0.30 690.1035767 6.40 690.9983521 0.60 691.6141968 0.50 693.1970215 0.55 694.8957520 0.38 696.7788696 0.44 700.0317993 2.26 701.0137939 0.61 705.8232422 0.42 706.9712524 1.36 707.9103394 0.94 709.1210327 3.95 710.4566040 0.56 711.2212524 0.11 712.7358398 0.70 713.5991821 0.13 714.7362061 0.33 718.0819092 0.73 719.7794189 1.25 720.6746216 2.18 721.9226685 0.71 728.7125244 14.87 729.5938110 5.09 730.6588745 0.25 731.4486084 0.69 732.4414673 0.07 735.3563232 0.43 737.6561890 17.84 738.7354126 1.69 744.0344849 0.22 747.0707397 1.00 748.1909790 0.22 757.4194946 1.42 758.6748657 1.30 759.5429688 0.07 764.2485352 0.29 766.1694946 0.48 767.0585327 0.08 772.6506958 0.42 773.8655396 0.25 779.7792358 0.19 790.1179810 0.48 791.1632690 0.12 800.5190430 0.23 803.8796387 0.15 813.1123047 2.08 814.0275269 0.89 814.7072144 0.47 816.4936523 0.49 817.6061401 0.14 818.6889038 0.19 822.1760864 2.03 822.9690552 0.82 826.0270386 0.22 827.5265503 0.12 828.8097534 0.07 830.6223145 1.37 831.7063599 0.72 832.6465454 0.24 833.5269165 0.50 841.5812378 0.19 849.7586060 0.15 860.8303833 0.27 863.8278198 0.45 871.6191406 0.26 891.2258911 0.11 901.6932983 0.07 928.6967773 0.05 945.8053589 0.45 948.4733887 0.06 956.5907593 0.24 957.4404297 0.19 962.5344849 0.16 964.3356934 0.16 974.8212280 0.14 976.7481079 0.35 980.3522339 0.19 985.5095825 0.20 1021.7336430 0.14 1025.8261720 0.68 1042.7025150 0.13 1045.6057130 0.29 1057.6492920 0.05 1073.9318850 0.08 1082.5688480 0.13 1084.3608400 0.04 1090.9023440 0.49 1100.5661620 0.20 1103.0115970 0.06 1104.0703120 0.24 1120.6667480 0.28 1164.8048100 0.18 1169.5585940 0.18 1172.5477290 0.33 1190.0762940 0.06 1190.7911380 0.07 1196.8299560 0.05 1223.4023440 0.15 1229.5148930 0.04 1232.7668460 0.14 1246.7177730 0.21 1282.7738040 0.12 1413.6405030 0.17 1414.9573970 0.11 1425.6684570 0.14 1433.7341310 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 706.5917 Annotation Unknow Peak:m/z Relative Intensity 206.7227783 0.05 212.6556396 0.08 214.8407593 0.08 216.8188782 0.06 223.2364807 0.03 232.9680023 0.05 239.0110474 0.04 258.6992798 0.04 274.9156189 0.08 277.0628052 0.13 279.9973755 0.02 280.6759033 0.10 290.8947754 0.27 292.0580139 0.02 292.8954163 0.54 294.6316223 0.02 296.8281250 0.04 300.8999634 0.04 316.2124634 0.03 316.9597168 0.05 318.0911255 0.02 324.1669922 0.02 334.8715515 0.11 337.4689941 0.02 342.2382202 0.07 343.0761414 0.02 359.8540649 0.01 372.8597412 0.13 377.2614136 0.05 380.0896606 0.07 381.1681519 0.02 382.1257935 0.13 384.9807739 0.10 385.8886719 0.08 390.8636475 0.22 392.0923462 0.05 393.0171509 0.05 400.0049438 0.02 401.1465454 0.04 405.0195923 0.13 418.0664062 0.05 423.2028198 0.02 438.7598267 0.03 442.3092651 0.04 454.9235229 0.15 460.8505859 0.19 462.2504272 0.15 462.9761963 0.08 469.1071167 0.02 470.7333984 0.08 480.0609741 0.76 481.1987305 0.08 484.9793091 0.09 502.9333496 0.42 503.9843140 0.01 510.7885132 0.07 512.7601929 0.38 522.8762817 0.15 528.9139404 0.16 530.8176880 0.58 531.7216187 0.09 532.8405151 0.43 536.6282349 0.19 538.7135620 5.84 540.3528442 0.05 542.8589478 0.03 544.6928711 0.03 546.7490845 0.26 548.7517700 0.18 550.8934937 0.17 554.5097656 1.43 556.3072510 0.10 557.2124634 0.07 560.3839722 0.48 561.0046387 0.38 568.5729980 0.20 570.0014648 0.16 570.9921265 0.41 575.9074097 0.03 594.0022583 2.15 594.9640503 0.31 615.0759277 0.06 619.3239136 0.15 620.6387329 0.83 622.5521851 100.00 623.2611084 0.17 625.1683350 0.11 626.7770386 0.16 633.3408203 0.17 636.9102783 0.07 638.3994141 1.20 639.0640259 0.09 640.9816284 0.14 661.4951172 0.08 663.5120239 4.42 664.5742798 7.73 665.7938843 0.09 668.2345581 0.24 669.3637085 0.04 670.3014526 0.14 672.7163696 0.25 681.8566895 0.03 682.8756714 1.04 683.5709229 0.97 685.3306274 0.02 689.1275024 0.08 702.5408936 0.03 705.7221069 0.43 706.6740112 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 675.27 Annotation Brassica napus non-fluorescent chlorophyll catabolite 3 Peak:m/z Relative Intensity 191.0369873 0.03 233.0501862 0.03 239.1699524 0.02 250.3185425 0.08 259.2232666 0.03 263.0498962 0.07 266.7939758 0.05 281.3153381 0.03 283.1015625 0.03 286.2619324 0.08 299.2383728 0.08 301.2445679 0.24 313.2376099 0.07 319.3656921 0.47 323.1679688 0.07 327.1964111 0.91 335.3173218 0.05 337.3089294 0.07 340.2280884 0.06 344.1719971 0.05 355.3453979 0.26 364.3078003 0.02 373.5062256 0.02 388.3336182 0.08 392.1328735 0.11 403.1962280 0.05 430.1990356 0.18 432.9645996 0.08 434.0559692 0.16 440.3502197 0.05 442.3552246 0.02 443.2796631 0.04 446.1699219 0.06 450.2044678 0.02 461.2039185 0.04 462.3255615 0.08 463.4033813 0.04 469.9829102 0.03 471.4362183 0.03 474.3586426 0.06 479.0113525 0.19 480.8118286 0.07 483.5294800 0.04 486.5429077 0.06 489.2647095 0.04 492.3638916 0.04 493.2272949 0.16 494.0694580 0.06 501.1882935 0.76 510.4657593 0.04 511.9108887 0.02 512.7317505 0.14 513.6884766 0.05 517.2898560 0.05 518.4102173 0.01 519.3654785 0.40 520.6338501 0.12 525.0602417 0.03 539.4497681 0.42 544.6914673 0.02 551.3416748 0.25 551.9501953 0.01 555.5222168 0.12 557.3926392 2.23 563.5134277 0.03 569.4628906 0.14 571.4964600 0.12 575.4072876 0.18 579.5346069 0.11 581.3958130 0.97 582.1902466 0.01 583.4311523 0.49 584.3739624 0.03 586.8471069 0.02 587.6717529 0.02 589.3536377 0.07 599.3616333 54.87 600.0344238 0.23 601.5293579 0.43 602.8215942 0.11 603.5386353 0.13 613.2840576 0.11 615.2935791 0.97 616.3585205 0.07 625.3877563 0.92 627.2947388 0.07 628.3820190 0.04 629.3368530 0.09 630.4755249 0.38 631.3128052 0.83 636.5833740 0.04 638.8030396 0.06 639.4983521 0.10 643.2689209 100.00 643.9810181 0.36 645.1943970 0.07 647.5806274 0.09 651.7769165 0.26 652.9867554 0.06 656.4141235 0.27 657.2643433 0.83 658.4803467 0.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 958.4113 Annotation Unknow Peak:m/z Relative Intensity 335.0868530 0.01 337.4098511 0.04 349.3019104 0.01 584.2758789 0.02 585.6835938 0.01 597.3484497 0.09 600.5573730 0.02 603.5436401 0.11 621.5017090 1.43 629.6022339 0.02 651.5228882 0.01 657.5290527 0.01 681.5567627 0.05 717.5657349 0.02 725.1533203 0.02 734.8675537 0.02 736.1073608 0.04 738.3536377 0.58 739.6482544 0.02 752.4786987 0.02 761.7816772 0.07 764.6104736 0.02 778.2815552 0.04 778.9857788 0.02 779.6795044 0.12 780.8163452 0.01 782.6984253 0.06 783.3894653 0.03 795.5531006 0.06 796.5039062 0.17 813.1989136 0.05 823.9779053 0.09 825.0519409 0.03 826.8107300 0.34 827.6244507 0.18 828.5753174 0.03 837.4367065 0.04 840.7749634 0.04 842.3474121 0.02 845.5868530 0.03 872.5264282 4.82 873.5604858 0.68 878.2598267 0.06 879.6506958 0.07 881.4773560 0.02 898.5238647 0.07 908.5797729 0.04 911.1013184 0.06 914.4829712 100.00 915.5565796 18.85 923.4630737 0.03 925.7112427 0.01 926.4793091 0.05 927.4785767 0.11 928.2510986 0.08 928.9700317 0.02 940.5621948 1.04 941.6945801 0.45 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 873.8698 Annotation Unknow Peak:m/z Relative Intensity 246.8438721 0.08 261.1492615 2.22 262.1888733 0.23 274.7240906 0.07 277.1563416 0.11 282.7486572 0.24 294.3682861 0.14 313.2040100 0.18 314.1177368 0.10 315.0955811 0.50 324.5053711 0.08 330.0913391 0.15 348.2890625 0.27 349.1870117 0.14 350.0366516 0.06 360.1213379 1.03 361.0269775 0.08 366.2735291 0.42 367.1428833 0.19 373.3287659 0.21 380.9734192 0.46 395.2316895 0.06 429.5327148 0.44 446.3529663 0.06 459.4913330 0.21 463.2462769 2.13 463.8683472 0.11 471.0443115 0.12 486.5828247 0.13 492.4736938 0.09 545.3769531 0.56 557.7875977 0.07 562.3087158 0.78 567.3693237 0.13 575.5444946 0.14 580.9646606 0.10 585.4280396 0.09 589.4819336 1.00 591.3353882 0.18 610.4689331 0.07 640.2594604 0.33 659.8299561 0.24 676.8578491 0.31 698.5668335 0.13 699.3959351 0.48 712.2753296 0.07 726.9966431 0.25 731.1541138 0.06 743.4246826 0.20 747.6504517 0.10 750.8666382 0.46 756.1238403 0.48 757.2476196 0.30 758.2786255 1.16 764.1989746 0.65 766.3062134 0.05 774.2383423 0.28 775.6427612 0.57 776.3081665 0.57 777.3560181 0.15 780.6969604 0.28 782.5175781 0.30 784.8597412 0.41 786.4738159 0.56 787.2301636 0.69 790.2819824 0.37 790.9633789 0.09 792.2504883 0.60 795.9437866 1.09 797.3619385 1.51 798.2849121 0.61 801.3646851 0.53 802.2039795 0.56 805.7893066 0.74 809.2604370 3.46 810.0673218 0.47 811.9687500 0.28 812.9760132 0.06 814.0000610 0.52 815.1304932 1.46 816.0993042 0.31 817.5726929 1.63 818.9200439 1.22 820.1815796 0.49 822.2216187 0.11 823.0646362 0.10 823.7172241 0.43 825.0699463 1.46 826.5220337 0.61 829.4126587 0.41 830.1940308 0.36 830.7945557 0.06 831.9795532 0.73 833.1080933 2.48 834.1323853 2.54 835.4898071 2.41 836.1809082 0.07 837.7367554 4.76 838.4253540 3.49 839.1575317 1.15 840.4080811 1.27 841.3317261 2.55 842.2307739 5.71 842.8612671 0.24 845.8197632 11.14 846.5448608 9.11 848.0149536 0.06 848.9400024 0.61 850.1896362 0.84 851.1919556 1.06 852.5181885 1.72 853.2680054 0.47 854.1666870 0.91 855.2236938 0.41 856.2872925 0.23 859.0786743 3.79 860.0845337 0.49 860.9285278 0.94 861.7401123 0.61 862.9476318 10.74 863.7991943 0.72 864.9537964 0.49 867.2396851 0.07 877.3873901 0.44 897.6591187 0.05 898.7536621 0.83 901.0629883 0.32 904.2954712 0.33 906.9994507 0.10 911.8772583 0.64 914.7833862 0.14 915.6288452 1.13 918.6379395 0.58 919.9260864 0.46 923.5922241 0.46 929.1574707 0.94 935.1071167 0.12 935.9606323 0.40 936.5704956 0.35 938.5566406 0.28 943.9446411 0.68 944.7077637 0.11 945.4588013 0.62 946.1764526 0.47 952.0842896 1.17 953.5570679 1.14 954.8921509 1.10 956.5598145 0.12 958.3754272 0.08 959.6903687 0.21 961.7006836 0.28 962.6923828 0.19 963.3355103 0.66 964.5353394 1.08 966.0407715 0.65 966.8115845 0.90 967.6734009 0.91 969.3178711 0.64 970.2119751 0.68 970.8400879 0.44 971.5961304 0.47 973.8536987 6.19 974.5270386 0.37 976.2839966 1.43 981.6027222 0.75 982.6262817 0.77 984.0461426 0.97 984.9641113 0.76 985.6393433 0.36 987.1286011 0.36 989.6344604 0.89 991.0488892 1.19 992.0502930 0.33 993.4689331 0.43 995.8666382 0.69 997.5441895 1.57 999.4957886 1.18 1000.4585570 0.19 1002.1433720 0.78 1002.9043580 1.42 1005.2649540 1.09 1006.2869260 0.78 1007.7309570 2.22 1008.8234250 0.45 1009.7604370 0.25 1010.8662720 2.45 1011.6081540 2.24 1012.4035640 0.75 1014.2399900 0.35 1015.3005370 0.44 1016.8574830 0.47 1017.7178340 0.57 1019.1660160 0.42 1020.9055790 0.46 1021.5400390 0.19 1022.2522580 0.61 1024.5666500 0.13 1026.7696530 1.29 1028.0181880 0.68 1029.6622310 2.23 1030.7431640 4.93 1031.8635250 1.23 1033.1331790 1.88 1034.4838870 1.77 1035.8675540 1.97 1036.6778560 0.11 1037.8939210 0.08 1039.4584960 7.50 1040.4497070 7.28 1041.1444090 1.87 1042.3995360 1.41 1043.7452390 1.54 1045.5772710 54.79 1046.4958500 31.05 1047.9228520 0.79 1048.9035640 2.82 1049.8006590 0.82 1050.5776370 1.34 1051.6921390 1.58 1053.4716800 0.37 1055.1997070 0.08 1056.6271970 0.79 1057.8994140 0.50 1059.5206300 2.11 1060.4157710 0.24 1062.2044680 1.77 1063.1604000 1.95 1063.9079590 0.17 1064.7077640 0.20 1066.8886720 4.02 1069.2364500 4.58 1069.8846440 0.26 1070.9814450 1.60 1072.5229490 7.77 1073.4327390 10.95 1074.3619380 2.58 1075.5656740 0.03 1077.2790530 2.05 1078.4265140 65.36 1079.1586910 100.00 1080.1896970 4.87 1081.1712650 0.70 1082.0855710 1.50 1083.5976560 6.35 1084.4011230 0.61 1085.0416260 0.42 1086.6468510 0.42 1087.3779300 0.26 1088.8444820 6.36 1089.6098630 14.42 1090.4415280 5.08 1091.4781490 0.99 1092.4194340 1.23 1094.6472170 0.25 1097.1234130 2.48 1098.1343990 1.58 1098.9166260 0.53 1099.5748290 0.27 1100.7098390 0.35 1102.6170650 0.15 1104.0490720 0.74 1105.0450440 2.92 1105.9606930 1.03 1107.6549070 1.55 1110.8309330 2.80 1111.6496580 1.07 1112.4648440 0.46 1113.1146240 0.67 1114.0979000 2.09 1115.6601560 0.97 1116.5158690 24.67 1117.2485350 10.20 1118.0863040 2.16 1119.4958500 0.78 1121.2662350 3.71 1122.3439940 6.55 1123.4678960 0.91 1127.1855470 17.24 1127.9562990 17.80 1128.8566890 7.10 1129.5955810 0.13 1130.8754880 0.30 1132.3023680 2.30 1133.3850100 2.51 1134.5063480 1.00 1137.5208740 0.69 1151.0983890 0.06 1161.9173580 1.59 1170.5585940 0.29 1173.5000000 0.51 1188.8245850 0.17 1197.5026860 0.34 1234.4433590 0.15 1246.7985840 0.08 1248.9429930 0.37 1251.5445560 0.67 1256.7198490 0.37 1263.1210940 0.49 1271.7100830 0.55 1277.2969970 0.67 1284.4387210 0.84 1285.9809570 0.09 1287.2073970 0.26 1290.3389890 0.23 1305.3953860 0.45 1306.3031010 1.38 1313.6180420 0.34 1325.5200200 0.41 1326.2537840 0.17 1328.1289060 0.17 1330.2717290 0.14 1331.2376710 0.12 1333.7491460 0.26 1335.9952390 0.45 1337.2120360 0.87 1341.5803220 0.30 1344.3184810 0.32 1345.7020260 0.27 1347.6434330 0.39 1348.6182860 0.49 1349.7031250 0.13 1360.1646730 0.18 1366.2602540 0.18 1368.4505620 0.12 1383.8460690 0.20 1384.7905270 0.68 1386.8067630 1.45 1387.6119380 1.27 1390.3990480 0.55 1394.2222900 1.66 1401.3281250 0.55 1403.8282470 0.16 1405.1273190 0.04 1411.6553960 0.35 1418.1678470 0.09 1419.1595460 0.61 1421.9083250 0.09 1426.5454100 0.12 1427.6193850 0.62 1428.7434080 0.13 1429.9615480 0.43 1432.1813960 0.66 1433.8195800 0.61 1443.0180660 0.40 1443.6458740 0.96 1446.6683350 0.46 1450.9860840 0.11 1452.0802000 1.89 1452.7883300 0.30 1453.7620850 1.78 1454.8367920 2.85 1459.7667240 3.96 1461.0008540 4.59 1461.6431880 1.66 1466.0206300 0.40 1466.7421880 0.07 1469.2648930 0.25 1478.4123540 0.25 1481.8270260 1.02 1485.7457280 0.80 1489.3637700 0.39 1492.7525630 0.74 1495.0667720 0.81 1500.8729250 0.38 1504.1553960 2.11 1505.0865480 1.06 1506.8260500 0.70 1515.9443360 0.52 1516.9848630 0.19 1536.1837160 0.41 1537.4840090 0.20 1543.7678220 0.14 1545.4790040 0.94 1553.8887940 0.16 1558.0570070 0.49 1559.9595950 0.96 1560.7595210 0.20 1561.6981200 0.28 1567.5949710 0.54 1568.3385010 0.87 1576.2169190 0.21 1576.8363040 0.32 1593.5989990 0.59 1596.9753420 0.16 1618.0061040 0.06 1631.9586180 0.73 1632.8498540 0.23 1640.9685060 0.09 1654.4854740 0.17 1736.9371340 0.05 1781.3685300 0.29 1794.0461430 0.38 1813.3765870 0.10 1824.8658450 0.16 1881.0675050 0.25 1889.2384030 0.08 1907.4512940 0.46 1912.0469970 0.52 1967.6242680 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 652.0875 Annotation Unknow Peak:m/z Relative Intensity 195.0240173 0.69 196.3348541 0.47 197.8935699 0.21 207.0512238 0.48 210.9724884 0.19 212.0095825 1.41 225.9834900 0.28 229.0514679 5.44 230.1842346 1.04 231.1564484 1.34 233.3424683 0.26 242.3041687 0.15 243.9546967 0.33 251.2725067 0.13 253.9396057 0.32 255.0537109 0.16 257.8530884 0.19 262.1547852 0.35 263.0404053 0.12 263.9774170 0.22 265.6911621 0.43 270.8864136 0.16 274.9155579 1.13 276.3168640 0.29 277.0240479 0.12 279.1491394 0.49 280.4796753 0.28 283.2079773 1.22 290.3943176 0.13 293.2754517 0.92 294.8131104 0.39 295.4273682 0.40 307.3688354 0.69 308.1762390 0.15 309.3591309 0.45 310.3275146 0.41 313.6005249 2.81 314.2919312 0.92 315.1361694 0.20 316.3298645 0.72 322.9995422 0.41 324.3119507 1.24 325.1497803 2.13 326.0544434 0.08 337.4377441 0.26 338.6010742 0.22 339.4016113 0.19 342.1528931 11.63 343.2722168 2.82 344.3385620 0.39 347.3249512 0.21 348.2868042 0.55 349.2485352 0.24 351.6079712 0.07 352.4934692 0.20 364.3789062 0.22 365.1836548 0.77 368.4385986 0.68 371.4252930 0.96 372.3696289 0.30 373.0731201 0.23 376.5242310 0.48 380.4520874 0.20 389.0465088 0.21 391.4283447 0.70 398.6615601 0.63 408.1745605 5.51 409.4796753 0.81 410.8670654 0.29 416.9281616 13.74 417.9287109 1.37 419.0703735 0.17 425.1497192 0.22 428.1084595 0.13 429.3580322 0.10 436.2966309 0.26 437.4503174 0.11 450.5068970 0.17 452.3976440 0.37 453.3005371 1.35 454.4241333 0.48 455.1552124 0.98 462.1514893 0.09 463.3344116 0.23 464.5355835 0.07 466.3822021 0.18 470.2631836 1.52 471.4649658 0.26 476.1539307 0.23 476.7969360 0.25 477.4752197 0.21 479.2906494 0.21 482.0065918 1.05 488.4801025 0.34 490.1381226 0.86 493.4774780 1.93 494.2256470 0.26 501.9909058 0.79 504.9512939 0.77 508.3971558 0.36 510.5286865 0.31 517.4401245 0.91 520.4229736 4.76 521.3496704 0.96 530.3906860 1.13 534.8778687 1.16 538.8266602 1.57 540.7144165 0.29 541.4813843 0.10 552.1080933 0.63 555.9074097 0.22 557.5211792 0.12 558.2405396 1.67 559.9046631 0.14 560.9096069 0.91 562.6448975 0.13 563.7495117 0.29 566.9332886 0.77 577.4356079 0.17 580.2533569 0.14 582.0517578 3.11 582.8988647 7.61 583.7832642 1.36 586.8956909 1.21 589.4877319 1.35 592.0173950 1.01 592.7913208 0.93 595.4528809 0.45 596.7318726 0.26 598.3870239 0.32 605.3959961 0.50 606.1843872 0.29 608.3414307 0.15 609.6864014 1.33 610.5065308 0.58 612.0796509 0.25 613.7371216 3.29 614.5310669 1.59 616.0674438 2.07 618.2778320 26.02 619.1053467 3.50 620.1575317 0.82 620.9544678 0.15 621.7055054 0.13 623.9569092 5.31 624.8510132 0.84 626.4932861 0.07 628.7906494 0.97 629.4480591 0.32 630.2984009 0.17 632.4627075 1.11 634.5029907 1.08 635.4108887 0.70 636.9564819 2.12 637.9660645 1.23 639.0783081 3.48 639.7672729 2.62 640.5002441 0.48 641.1738892 4.86 642.2217407 0.19 643.6280518 12.06 644.3275757 0.90 644.9318237 0.51 645.8277588 0.66 649.6772461 0.29 659.3773804 0.72 661.4526978 0.78 666.1832886 0.53 667.6481934 4.15 674.5278320 0.39 677.3545532 4.81 678.5834351 3.17 681.0661011 3.40 684.8739624 0.50 690.4193726 1.06 691.4852905 0.94 695.5627441 2.16 696.7761230 1.87 698.3621826 0.12 700.8873291 1.96 701.6298218 0.80 702.6107178 1.32 707.1417236 9.91 707.9513550 1.61 709.3297729 1.84 710.2243652 1.11 711.4552612 0.85 713.0671997 83.70 714.0086060 16.54 714.7504883 1.78 716.0476685 0.25 717.6316528 4.18 718.9341431 0.62 720.9894409 0.29 722.5714722 6.04 723.6021729 1.35 724.5921021 0.15 734.8114624 2.35 735.7323608 2.60 736.6812134 0.53 737.4376831 0.24 740.3521729 1.78 741.2280273 2.05 743.0119629 1.45 744.2578735 0.42 747.2977295 2.05 749.9971313 4.65 751.3959961 0.20 755.8385010 46.89 756.6898804 7.08 757.6433105 1.22 758.4376831 1.53 759.0442505 0.16 761.0234985 0.44 766.3552856 0.54 767.7075806 0.25 768.3776245 0.40 771.0587769 0.31 772.2757568 2.11 773.6726685 2.75 774.3053589 1.10 775.4124146 0.41 777.2631836 0.76 778.2681885 1.83 785.1927490 1.09 786.0823364 1.21 786.9227295 3.73 788.0531616 0.95 791.6449585 0.30 793.8331299 8.08 794.8013306 14.46 795.6912231 4.17 796.6250000 0.84 797.4795532 0.75 798.2156982 0.88 800.1287231 0.41 801.3347778 0.42 803.0657959 2.96 804.1705933 0.10 806.6467285 2.40 807.4162598 0.18 808.6005859 6.52 809.6267700 0.79 812.1775513 26.59 813.3593750 4.02 814.4866943 2.63 815.3823242 1.50 816.0995483 0.43 816.7109985 0.98 817.5285645 35.04 818.1489868 100.00 819.0315552 8.12 819.8385620 1.91 820.7144165 1.55 823.8546143 21.53 824.8101196 6.03 825.4411621 0.17 826.3844604 0.09 827.3782349 1.47 832.5326538 10.60 833.5154419 3.11 834.5773315 0.80 835.6948853 0.10 836.7276611 0.10 844.9092407 0.19 855.6401367 0.15 857.8336792 0.45 861.6237183 0.12 862.4270630 0.57 863.8037720 0.60 865.9350586 0.77 866.7494507 0.99 870.4409180 0.97 871.7952271 0.74 873.3663940 0.33 874.1373901 0.27 875.7144165 1.12 877.6194458 0.33 879.0133667 2.03 879.9109497 1.87 880.7545776 0.67 885.1081543 1.22 887.8197632 16.38 888.6782837 9.44 889.5377808 0.88 890.2300415 0.31 890.8921509 0.37 894.0036621 2.44 894.6318970 0.53 896.0405273 0.34 900.1945190 0.70 908.8775024 0.96 920.7138672 0.49 921.4003906 0.24 923.2005005 1.31 936.1266479 0.67 936.8182983 0.09 937.7668457 0.09 939.2307129 0.10 944.6627808 0.38 945.3247070 1.12 947.4956055 0.12 956.7561035 0.19 957.6198120 0.15 962.1625366 0.29 969.6179199 0.13 970.8552856 2.03 971.5675659 0.81 973.5296021 0.27 974.3685913 0.14 978.1281738 0.83 979.5995483 3.17 980.2903442 0.97 981.0347290 0.39 981.6766968 0.09 982.7554321 0.51 983.9295044 1.06 986.5168457 0.88 987.7922974 0.25 991.4786987 19.40 992.1047363 5.61 992.7133179 2.20 993.9192505 1.18 1000.0129390 0.93 1001.6650390 0.58 1004.5247190 0.37 1007.8098750 0.61 1015.7009280 0.12 1018.8324580 0.30 1021.3286130 0.13 1025.6806640 0.32 1028.0417480 0.10 1029.3414310 0.23 1032.7819820 0.11 1033.7478030 0.13 1041.9106450 0.36 1042.8758540 0.62 1046.6352540 1.71 1047.4765620 0.62 1055.6773680 7.08 1056.6004640 0.29 1057.5594480 1.12 1061.6339110 0.28 1063.6363530 0.45 1066.6140140 1.35 1068.5965580 0.57 1082.5476070 0.33 1083.7593990 0.28 1094.6185300 0.40 1111.6474610 0.57 1112.8212890 0.86 1114.1193850 0.79 1116.1566160 0.18 1118.6567380 0.98 1119.5891110 0.84 1120.2246090 0.40 1130.4201660 0.11 1135.4421390 0.81 1136.7767330 0.48 1162.6857910 0.74 1168.8364260 0.22 1190.5941160 0.46 1205.4279790 0.15 1246.7257080 0.80 1247.9613040 0.68 1251.0758060 0.23 1258.8435060 0.13 1263.0418700 0.23 1274.9342040 0.17 1276.9805910 2.26 1277.7901610 0.96 1278.4493410 0.69 1304.5762940 0.58 1305.6979980 0.96 1307.4353030 0.13 1322.2374270 0.10 1330.0699460 1.30 1338.2530520 0.45 1373.8887940 0.09 1382.6271970 0.33 1388.9764400 0.73 1391.9410400 0.54 1404.9696040 0.14 1432.8632810 1.28 1433.8784180 2.58 1434.8356930 0.10 1436.7480470 0.51 1471.3797610 0.07 1514.2327880 0.11 1532.9434810 0.35 1545.9144290 0.21 1591.2247310 0.23 1615.9466550 0.29 1617.8845210 0.28 1623.0106200 0.32 1635.6672360 0.39 1652.9479980 0.24 1672.5084230 0.23 1728.3685300 0.73 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 609.14 Annotation 6-Hydroxyluteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside] Peak:m/z Relative Intensity 178.0461121 0.01 183.8303223 0.02 186.1390381 0.01 191.3220673 0.04 196.8977966 0.05 199.2971191 0.01 207.4254150 0.02 221.2275085 0.01 231.5355988 0.02 237.2366028 0.01 239.3545380 0.01 255.0668793 0.07 256.0619507 0.03 262.9838257 0.02 269.0336304 0.03 278.8876648 0.02 289.0187988 0.01 290.9973145 0.02 297.3256226 0.03 303.2258911 0.01 305.3887329 0.04 307.4245605 0.00 308.1707458 0.02 309.4398499 0.07 310.7540894 0.03 313.0739136 0.06 314.2271118 0.08 315.3474121 0.03 318.9417114 0.01 327.1435547 0.03 328.0521851 0.10 329.0334473 0.10 331.0994263 0.20 336.2097168 0.01 345.6193237 0.31 346.3118286 0.36 347.2708130 0.06 353.0324707 0.02 358.5793457 0.01 361.1783447 100.00 363.4390259 0.01 371.1591187 0.10 372.0391235 0.04 377.4008789 0.02 393.2756958 0.10 397.8607788 0.05 400.0137939 0.02 403.4253540 0.05 410.3073120 0.01 411.2987061 0.17 414.5380859 0.02 421.3701172 0.01 428.2796021 0.09 429.3848877 0.13 432.4259033 0.05 433.4786987 0.05 437.9923706 0.04 441.0316162 0.02 444.2864380 0.08 445.6800537 0.11 446.5794678 0.11 447.3673706 0.11 452.4812622 0.02 456.1849976 0.06 459.2829590 0.06 474.1513672 0.16 477.1401978 0.04 486.0635986 0.07 490.4502563 0.04 497.9124756 0.01 503.4498901 0.01 505.2299194 0.02 506.2091064 0.01 509.4401245 0.01 521.0606079 0.06 523.1306152 5.72 527.9388428 0.09 538.3711548 0.01 546.4288940 0.04 548.5711060 0.09 549.4863892 0.04 562.2557983 0.02 563.1848145 0.03 564.4755249 0.12 565.2168579 1.07 566.5490112 0.03 567.3900757 0.02 572.4052124 0.06 573.5205688 0.03 576.2120972 0.14 577.3847046 0.11 579.2418823 0.05 581.3602905 0.85 590.5698853 0.62 591.2352905 1.90 592.4628296 0.09 599.6284790 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1430.6635 Annotation Unknow Peak:m/z Relative Intensity 455.5794067 0.19 456.3550415 0.07 470.2077942 0.07 498.5887451 0.09 509.4410095 0.12 510.3732910 0.05 539.1466064 0.10 551.6079102 0.08 555.8040771 0.14 569.5059814 2.26 570.5814209 0.43 609.2590332 0.16 613.3805542 1.14 614.5661011 0.18 627.5765381 1.06 628.5223389 0.84 630.9624634 0.30 631.5830078 3.30 632.4329224 0.51 651.6920166 0.11 655.6416016 0.11 656.7392578 0.20 669.6954346 0.07 671.3395996 0.08 673.2001953 0.38 729.8098755 0.30 747.5394897 0.07 775.6015015 0.38 789.6496582 1.04 790.5488281 0.84 793.5488281 11.28 794.5433960 4.66 833.4915161 0.87 834.6082764 0.31 849.2532959 0.14 851.3327026 3.81 851.9794922 0.92 852.6123657 0.61 877.3476562 0.04 881.3692627 0.57 893.2362061 0.26 894.6391602 0.14 909.4877930 10.09 910.5678711 3.81 911.1845703 0.09 953.3624268 100.00 954.3183594 50.76 954.9876709 0.38 1409.0828860 0.16 1889.4261470 0.16 1906.4820560 3.40 1907.1268310 28.43 1908.1563720 82.90 1909.0852050 0.41 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 563.23 Annotation Unknow Peak:m/z Relative Intensity 162.7229919 0.01 172.9352570 0.04 175.2084045 0.02 193.0733948 0.11 200.8170776 0.05 207.1748199 0.05 220.7895050 0.09 223.3325500 0.01 224.1438293 0.02 235.2425079 0.05 247.3546448 0.03 250.7449036 0.03 258.1341553 0.02 264.2236938 0.02 268.1978760 0.05 270.3012085 0.02 274.2121582 0.01 274.9999084 0.01 280.5426025 0.02 288.1235352 0.03 293.1037598 0.53 295.3013611 0.06 299.3091431 0.04 311.0900574 1.69 323.2554932 0.04 329.5901489 0.03 337.1744995 0.03 338.2352295 0.18 339.4094238 0.01 341.2603149 0.01 355.2597656 0.22 356.2364502 0.11 357.2780151 0.10 359.2330322 0.02 365.5487671 0.01 369.5579834 0.05 376.1875000 0.01 377.0960693 0.02 383.1909790 0.17 384.3862915 0.03 387.3284302 0.13 400.3645630 0.02 401.2319946 0.18 413.4450073 0.05 425.3220825 0.10 431.4187012 0.02 432.1489868 0.03 437.6262817 0.01 442.0818481 0.03 443.3171387 0.04 444.3630981 0.02 445.1754150 0.02 447.5630493 0.05 451.2692871 0.02 455.7861938 0.02 457.1937866 0.02 461.1333008 0.06 472.1137085 0.01 473.0211182 0.03 475.4757690 0.07 476.1856689 0.01 481.4552002 100.00 482.2517700 9.46 482.9154663 0.43 484.1279907 0.03 486.4056396 0.10 487.1763916 0.05 488.3388062 0.06 489.1565552 0.08 496.1359253 0.01 499.2461548 0.04 500.4573364 0.01 502.4785156 0.57 503.5545044 0.24 512.3879395 0.01 517.0728760 6.50 517.7579956 0.02 518.4157715 0.07 519.4996948 0.01 526.1730347 0.20 527.2909546 0.09 532.1176147 0.01 533.2768555 0.06 540.7317505 0.18 541.3640747 0.09 543.4012451 0.02 544.4030151 0.29 545.2037964 0.09 548.0224609 0.01 553.3905029 0.11 554.0461426 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 277.0356 Annotation Nepenthone A Peak:m/z Relative Intensity 87.1883621 0.06 98.9421539 0.04 111.0102844 0.14 113.0141296 0.23 118.9833527 0.48 126.9842834 4.81 131.0221863 0.25 138.9495544 0.03 143.1702423 0.12 144.9449005 1.43 147.2574158 0.06 147.9919128 0.10 155.0075531 0.82 161.0214539 1.68 163.0099487 0.24 171.0608215 1.55 175.0267029 0.14 189.0198517 1.24 203.1212158 100.00 205.0786743 2.10 215.0915833 6.35 231.0065308 0.16 233.1245728 23.95 259.0374756 53.08 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 969.94 Annotation Unknow Peak:m/z Relative Intensity 471.5327759 0.85 485.5423584 0.02 543.7429810 0.07 563.5469360 0.39 571.2150879 0.11 571.9003906 0.04 583.7253418 0.35 585.6104736 1.81 597.6953735 0.09 603.7450562 0.03 625.5269775 0.57 629.6218872 0.16 641.5968018 0.07 643.5703735 5.25 647.5586548 2.47 687.4542847 0.09 745.6023560 0.16 763.4226074 2.39 787.6023560 0.11 789.2609863 0.14 791.4440308 2.01 792.0467529 0.20 803.8200073 0.13 805.6037598 12.87 807.5055542 0.43 809.5818481 75.39 821.5624390 0.11 831.5427246 0.14 836.6002808 0.13 837.5010986 0.38 849.5023804 8.02 851.5491943 0.07 865.6286621 1.45 867.4486084 34.12 868.1857300 0.09 879.5101929 0.08 897.6091919 0.72 907.3943481 0.73 909.4361572 0.37 910.3757935 1.56 911.1202393 0.04 925.4268188 100.00 926.0979614 0.42 951.4622192 0.49 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 309.0461 Annotation Unknow Peak:m/z Relative Intensity 99.2976990 0.07 99.9117050 0.05 101.0297165 0.34 111.2553253 0.07 114.9429474 7.21 119.0678940 0.08 122.9891205 0.19 127.9566040 3.41 129.0670013 1.30 130.0690308 0.45 131.0342102 0.13 132.9418030 100.00 143.0288086 2.86 144.0686035 0.88 145.1981506 0.16 146.9174500 0.29 149.1083374 0.06 153.1253662 0.08 158.0174408 0.11 159.9179993 0.91 160.9918671 0.86 162.0223389 3.30 162.9532013 0.19 166.8354797 0.08 169.7030029 0.21 171.0139008 0.26 174.9810028 17.17 177.1118317 0.44 177.9654083 0.37 178.9499207 6.36 180.0821838 0.65 181.2110748 0.34 182.8416901 0.19 185.1101227 0.12 196.9029388 0.12 204.2127991 0.08 210.0559082 1.58 211.0372620 0.18 212.0436096 0.20 213.1087036 0.11 215.0995178 0.59 216.2358093 0.22 221.1574097 0.08 228.2044678 0.24 233.0412903 0.27 234.2208862 0.14 236.2716370 0.15 237.0115662 0.18 242.1814575 0.10 246.9705811 0.16 248.1831665 0.36 249.1508179 0.44 254.0935669 17.97 255.1565247 7.06 256.0623779 7.94 257.1458130 1.13 260.3157349 0.21 265.0562134 0.07 267.1447144 0.07 272.0892944 18.58 273.1009521 4.96 274.1895752 11.12 275.2594604 0.94 287.9408264 0.84 290.0593872 30.23 291.1370544 6.72 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 503.083 Annotation 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide Peak:m/z Relative Intensity 156.7657623 0.16 174.9645691 16.67 257.3238525 0.09 284.8789062 0.10 312.1666260 2.43 313.0638733 0.13 327.1243286 100.00 327.9290466 0.04 345.2226562 0.09 369.4674683 0.15 371.4524231 0.09 375.1724854 0.25 380.2365417 0.09 395.2132263 0.04 414.4025879 0.26 423.3495789 0.54 442.1950684 0.13 458.7779846 0.07 467.1688538 0.35 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 627.2 Annotation Unknow Peak:m/z Relative Intensity 217.3336182 0.07 241.0593109 0.01 257.1276245 1.00 259.0061035 0.42 295.3570557 0.01 323.3861084 0.10 328.4234009 0.02 356.0546265 0.05 377.3943481 0.01 378.9774780 0.02 403.2077026 0.08 404.3630981 0.01 421.2053833 0.26 429.4032593 0.05 437.3919067 0.04 443.1199951 0.03 445.2397461 0.03 447.1613159 0.11 449.3171997 0.14 451.5909424 0.03 463.4091797 0.22 465.2508545 100.00 466.2557983 1.97 466.8804932 0.01 489.1244507 0.01 495.5288696 0.04 507.3609009 0.10 521.1669312 0.01 529.1177368 0.01 539.5634155 0.04 541.4706421 0.08 547.2589722 0.01 555.4373169 0.05 567.4140015 0.11 569.3090820 0.03 577.1897583 0.06 580.1961670 0.06 581.2326660 0.07 583.3210449 0.21 591.4839478 0.10 595.1475220 0.10 599.1719360 0.11 608.3258667 0.12 609.2798462 0.25 612.6880493 0.06 626.1865234 0.03 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 306.96 Annotation Unknow Peak:m/z Relative Intensity 106.4390030 0.02 109.6707230 0.04 145.1231079 0.06 149.1720581 0.06 151.0276794 0.01 152.0940247 0.05 163.0655060 0.04 165.5036316 0.03 166.2647705 0.12 172.3293457 0.05 175.0838623 0.23 180.2780914 0.06 187.0908813 0.01 188.1090546 0.25 189.0070801 0.03 190.8926697 0.07 195.1452332 0.08 203.0887756 0.08 205.5629578 0.02 206.2974854 0.02 207.2212219 0.02 209.0219727 0.07 210.2124939 0.17 216.2809753 0.07 217.1696167 0.08 221.2593689 0.06 223.2236023 0.03 225.1311035 0.06 226.0705872 0.10 232.5083313 0.20 239.4779358 0.08 242.2973938 0.06 243.1273804 0.04 249.2716370 0.13 253.1435547 0.01 254.2232361 0.17 255.2655334 0.09 259.0440063 0.02 260.1862793 0.41 261.1504211 0.83 262.2040405 0.27 263.1671143 0.13 263.8655396 0.02 265.8502197 100.00 266.4596863 0.63 270.3028870 0.01 271.4484253 0.02 275.0567627 0.03 276.2872009 0.03 277.9989929 0.08 279.1788330 0.28 281.3607788 0.17 282.3547668 0.17 283.5720215 5.51 284.5411377 0.39 285.2847900 0.10 286.1837463 0.14 287.3958740 0.03 288.1867981 0.31 289.1533203 0.42 291.7116699 0.04 294.1615601 0.16 295.1354065 0.03 299.2785645 0.02 303.6422424 0.06 306.9179688 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 637.66 Annotation Unknow Peak:m/z Relative Intensity 187.1411133 0.05 207.0823059 0.11 210.2693024 0.05 223.0687561 0.05 239.8262329 0.07 255.0797119 0.06 265.2500000 0.06 274.3069458 0.02 292.2372131 0.05 300.4248657 0.02 301.1514893 0.01 307.1396484 0.02 309.2982178 0.11 310.4789429 0.09 311.6405029 0.10 312.4260864 0.02 313.1006775 0.03 325.2120361 0.02 327.4804077 0.02 330.9766235 0.03 357.2899170 0.03 364.1725464 0.05 370.8958130 0.05 375.1903076 0.05 387.4800415 0.04 407.2065430 0.06 423.3200684 0.05 425.3189087 0.04 429.2266846 0.01 443.3843994 0.05 501.2694702 0.08 503.1833496 0.02 504.8208008 0.01 518.2172241 0.04 522.0216675 0.01 526.8363647 0.01 571.6416626 0.05 585.4587402 0.09 588.1981812 0.15 601.8339233 0.20 602.6760864 0.01 603.7589722 0.26 606.7647095 0.04 609.2700195 0.06 614.4948730 0.34 616.0480347 0.06 618.5670776 0.04 619.3001099 0.03 619.9461670 0.18 621.0034180 0.22 623.0137329 0.30 625.3245239 0.87 626.1235962 0.06 627.0594482 0.34 627.9801636 0.38 628.7271118 2.85 629.5866089 0.11 634.1262207 0.09 685.2296753 0.01 686.0930786 0.06 689.4975586 0.01 698.8521118 0.26 705.6399536 0.04 706.6343994 0.02 709.3975830 0.15 711.2271118 0.10 712.9290161 0.07 714.2560425 0.05 714.9991455 0.20 718.3531494 0.40 721.6926880 0.02 722.4009399 0.65 723.0366821 0.68 724.9052734 0.20 726.4641724 0.22 727.1867676 0.18 728.5100708 0.14 730.0625610 0.09 731.3471069 0.33 732.4901733 0.39 733.2543335 0.34 734.9206543 0.02 736.0436401 0.21 737.3913574 0.60 738.7192993 0.50 739.9027100 0.06 742.5399780 0.54 743.7712402 0.01 744.9995728 0.52 746.2483521 0.03 747.3991089 0.15 748.0039673 0.53 749.0878906 0.74 749.9639282 0.87 750.6160278 0.67 752.2278442 1.30 753.1770630 0.55 754.4556274 2.43 755.1571045 1.68 756.6480103 2.97 757.7824097 1.68 758.6145630 0.29 759.6134644 0.88 760.3577271 1.44 761.3073120 1.26 762.3450317 0.76 764.3359985 6.64 764.9856567 5.42 765.7241821 0.59 766.6175537 0.63 767.5038452 0.13 768.4386597 2.63 769.0547485 100.00 769.9829712 1.05 770.8444824 0.64 771.6982422 0.67 772.3798218 0.39 773.8775024 0.30 775.2397461 0.68 775.9311523 0.20 778.1106567 0.34 779.1015015 1.35 780.0171509 0.28 780.7649536 0.01 781.4253540 0.02 782.6653442 0.29 783.7819214 0.09 786.1306152 0.02 788.9635620 0.04 793.3093262 0.12 796.6219482 0.06 800.0295410 0.20 804.5388184 0.05 817.6885376 0.14 821.3959351 0.03 823.8668823 0.22 828.5376587 0.20 829.7473145 0.08 843.9318237 0.37 845.2539673 0.29 851.4325562 0.07 854.4213867 0.02 865.6855469 0.25 869.5332642 0.18 876.1088257 0.08 876.9641113 0.02 881.3596802 0.06 892.2014771 0.08 895.3251953 0.08 899.5473022 0.11 904.1605835 0.15 911.8967285 0.03 913.2224731 0.10 914.5127563 0.02 918.0092773 0.11 919.0773315 0.38 920.0781250 0.23 923.7719116 0.24 924.6176147 0.06 925.7584839 0.38 928.5116577 0.08 930.2090454 0.08 931.2841187 0.21 932.3651733 0.24 933.2793579 0.25 936.3871460 0.21 937.2400513 0.13 938.4729004 0.33 940.0021973 0.94 941.4149780 1.23 942.8957520 0.18 947.1442871 0.60 950.1464233 0.06 951.5290527 0.12 952.6018066 0.21 953.9553223 0.04 956.0734863 0.34 957.1644897 0.80 958.0354614 0.76 959.0085449 0.17 960.0222778 0.12 961.0827026 0.13 962.1403809 0.35 963.1920776 0.68 964.4191284 0.85 965.6200562 0.06 967.2471313 0.23 970.3854370 1.31 971.2337036 0.09 972.6561890 0.16 974.5457153 0.44 975.5251465 0.72 976.3598022 0.42 977.0834961 0.10 978.2274780 0.12 979.2307129 0.24 980.7939453 0.64 981.5495605 0.56 982.4614868 0.56 983.2121582 0.33 984.5582886 0.41 985.2609253 0.06 989.1174316 0.46 990.5064087 0.13 995.0936890 0.46 999.8427124 0.26 1001.4121700 0.34 1006.8371580 0.21 1007.4870000 0.01 1009.7877810 0.05 1010.5602420 0.09 1012.7382200 0.03 1017.5127560 0.07 1027.7454830 0.18 1029.7851560 0.08 1045.4340820 0.01 1046.0690920 0.11 1068.9345700 0.07 1095.4912110 0.06 1111.2882080 0.03 1113.0202640 0.05 1121.0009770 0.17 1132.0673830 0.06 1146.7864990 0.15 1153.0299070 0.09 1155.5981450 0.05 1160.0854490 0.07 1163.0711670 0.14 1175.4499510 0.06 1179.1909180 0.09 1187.6257320 0.06 1196.3160400 0.04 1201.2514650 0.18 1207.2438960 0.04 1217.8919680 0.07 1224.3004150 0.14 1235.9477540 0.04 1242.0579830 0.05 1246.3226320 0.05 1263.5986330 0.09 1281.7054440 0.13 1284.7716060 0.05 1293.2239990 0.03 1316.8170170 0.16 1319.6870120 0.14 1329.3836670 0.07 1337.9844970 0.08 1340.4969480 0.01 1351.7708740 0.03 1353.2178960 0.16 1377.9078370 0.04 1449.6945800 0.03 1460.8083500 0.02 1507.0155030 0.12 1528.9637450 0.02 1537.7698970 0.10 1548.7165530 0.04 1633.8345950 0.04 1661.7235110 0.08 1703.9915770 0.04 1721.4886470 0.04 1785.9718020 0.05 1826.4499510 0.04 1868.5817870 0.03 1869.6453860 0.03 1946.4266360 0.07 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1173.5367 Annotation Unknow Peak:m/z Relative Intensity 394.6249390 0.24 437.6007690 0.16 440.5983887 0.12 456.2680664 0.05 501.3708801 0.56 502.4687500 0.39 525.8026733 0.13 543.3710938 0.43 587.4040527 0.16 647.6407471 0.06 663.5903320 0.03 677.4060059 0.91 757.1071777 0.48 937.5458984 0.13 955.5216064 3.15 956.6342773 2.31 997.4968262 100.00 998.6055908 43.80 1040.6650390 0.22 1069.5737300 0.07 1094.9924320 0.18 1112.5476070 0.68 1155.7769780 0.17 1156.5463870 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 681.15 Annotation Glycobismine-D Peak:m/z Relative Intensity 193.0588989 0.34 205.2259674 0.02 217.0169525 0.03 225.0151978 0.17 231.1897888 0.07 244.1946411 0.05 251.1564636 0.07 253.4313354 0.12 255.3220520 0.07 259.0707397 0.69 271.1770020 0.07 277.1623840 0.04 291.2348022 0.05 296.2397461 0.04 298.9826355 0.23 303.1858521 0.02 311.3486938 0.04 314.0365601 1.02 321.0496216 0.10 327.0026855 0.35 329.1915283 3.07 333.2005615 0.04 336.2340393 0.06 339.1702271 0.04 341.2059937 0.04 342.1562500 0.39 343.2957764 0.19 351.2391357 2.85 355.1532593 0.23 356.3112793 0.02 359.2520752 0.06 362.2199707 0.02 365.0642700 0.11 371.2034912 1.28 382.2285156 0.02 397.2218018 0.19 410.2473755 0.06 425.1134644 1.46 439.7236938 0.02 443.2676392 0.13 443.9093018 0.02 445.1590576 0.05 448.2001953 0.03 450.8398438 0.06 472.0976562 0.22 479.2295532 0.02 487.1641235 100.00 488.3211670 0.03 498.0442505 0.04 501.4058838 0.03 505.2756958 0.22 506.4876709 0.04 517.1027222 0.19 519.2152710 0.21 523.3807373 0.01 543.6431274 0.01 550.1548462 0.03 559.3222046 0.02 564.2523193 0.08 564.8989258 0.05 572.5560913 0.20 576.9013672 0.02 583.4232178 0.20 585.1805420 0.31 585.9717407 0.08 593.6292114 0.04 597.2149048 0.10 601.0649414 0.01 602.5171509 0.03 603.3744507 0.04 611.1316528 0.04 620.4407959 0.07 621.5741577 0.02 635.8540649 0.53 636.4619751 1.95 637.1675415 0.15 638.3474731 0.06 639.6658325 0.21 643.7615356 0.08 644.6674805 0.06 648.4430542 0.09 649.2436523 0.12 657.5702515 0.05 660.5037842 0.09 662.5400391 0.08 663.4167480 0.03 665.3662720 0.02 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 296.88 Annotation Unknow Peak:m/z Relative Intensity 103.9219513 0.34 128.9355469 100.00 153.1523438 1.08 171.0673065 0.75 206.6140137 0.22 210.9936523 0.16 212.8507080 40.37 222.0563354 0.61 226.1634216 0.44 229.1816406 0.24 233.4704590 0.07 236.9363098 0.14 250.1900330 0.18 253.3470154 0.11 279.2077026 0.83 282.1621094 1.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 781.4009 Annotation Withanoside X Peak:m/z Relative Intensity 248.8698425 0.25 263.8463440 0.12 271.4390869 0.12 296.9797668 0.15 323.2121582 0.29 328.2933655 0.17 331.1979980 0.20 351.3867188 0.08 352.4336243 0.08 439.2322998 0.17 473.6713257 0.06 495.3162231 0.12 501.5566406 0.07 506.8719482 0.05 516.0493164 0.14 523.3131104 0.54 534.3226318 0.07 541.1148682 0.20 543.3141479 0.48 573.6597900 0.10 600.5736694 0.17 605.1027222 0.69 620.5353394 0.49 631.4640503 0.58 633.5463867 0.07 649.5569458 100.00 659.2839966 0.31 667.3488159 0.18 671.2492065 0.09 683.5590210 0.39 685.3092041 0.36 690.9025879 0.31 695.3538818 5.79 700.5728149 0.36 703.4625854 0.09 705.4844360 1.86 719.5366211 0.43 720.3959351 0.11 727.7598267 0.30 734.6391602 0.15 735.2607422 1.00 736.6672974 2.47 737.5958252 1.34 744.9063721 0.44 750.9251099 0.10 752.1933594 0.41 753.6923218 0.11 762.9445190 0.38 781.3035889 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 605.1719 Annotation Unknow Peak:m/z Relative Intensity 178.8136139 0.05 180.9211121 0.03 185.0295258 0.04 193.0973053 0.52 199.1159363 0.02 203.0661926 0.37 205.0888977 0.05 222.8252869 0.12 231.0595093 0.08 235.0585480 0.14 247.1563110 0.13 249.1689148 1.64 253.2124329 0.40 265.0901184 0.02 267.1929932 9.30 272.1121216 0.06 281.3592529 0.03 283.0509644 0.08 295.4122925 0.03 306.8712769 0.05 323.1937256 0.02 334.9855957 0.15 337.3016968 0.05 343.2092896 2.36 349.2863770 0.34 355.5505981 0.02 359.0806885 0.04 360.1682129 0.08 365.4714966 0.06 367.1078491 0.08 379.6320801 0.03 380.5949707 0.05 381.3487549 0.30 383.3322144 0.18 389.3629761 0.05 396.1807251 0.02 399.4315796 0.17 401.2073364 1.37 401.8143921 0.02 405.2943726 0.04 406.7501221 0.02 407.3952637 0.04 411.1727905 2.43 423.1952515 0.02 425.2019043 12.16 432.0092773 0.02 443.2029419 100.00 453.3583374 0.04 466.9651489 0.11 485.2552490 1.18 488.0469971 0.03 497.1842651 0.09 515.3168945 0.75 519.0974121 0.06 527.2863159 0.06 533.3665771 0.02 541.0975342 0.11 543.1972656 0.09 547.2723999 0.02 551.4723511 0.05 557.1589966 0.01 559.3664551 0.09 560.1399536 0.05 561.5309448 0.10 569.3129272 0.14 573.5180054 0.41 584.5368652 0.07 585.3787842 0.03 586.2305908 0.15 587.2042236 0.54 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 434.7232 Annotation Unknow Peak:m/z Relative Intensity 128.9185333 0.19 162.0965881 0.08 172.2154541 0.11 177.3085632 0.17 184.0926514 0.13 185.0520935 0.08 195.1103821 0.71 196.1162720 0.44 211.4236450 0.16 212.0669250 0.07 213.0888672 2.13 213.8907166 0.51 215.4702759 0.04 226.1519318 5.16 227.0730591 0.31 228.4784088 0.05 234.2091675 0.57 244.6666260 0.30 255.9688416 0.14 259.1137085 0.08 262.1528320 0.05 266.3080139 0.25 267.1718750 0.21 272.2324524 0.77 276.0563354 0.17 278.3070679 0.18 287.3870239 0.05 294.4291382 0.30 296.4509277 0.58 298.2027588 3.67 308.2958069 1.27 309.4033203 0.24 313.2998657 3.35 314.4039001 0.83 321.2449951 0.48 326.1456299 64.10 327.1661377 9.47 328.8370667 20.51 330.0825500 1.23 331.2492981 87.65 332.2117004 9.21 333.4291992 0.89 340.5056458 0.22 347.5580444 0.19 371.2514038 0.06 372.0025330 0.05 373.3428345 0.28 374.2717590 0.50 374.9444275 0.30 377.4830017 0.84 378.5915833 0.09 382.4940491 4.83 383.9106140 0.25 388.3773499 0.32 389.4898987 0.34 390.2048035 0.05 391.5550842 1.31 392.4647522 0.13 396.4693909 1.55 402.3476257 0.10 404.5700989 0.29 407.1204529 0.36 408.4996033 0.20 416.8211975 2.83 417.5251160 1.43 418.1387634 0.50 420.4702759 0.58 421.9695740 0.61 423.3965454 0.63 424.4892883 0.84 425.8095398 5.38 426.4863586 2.56 427.2615051 0.36 438.2626038 0.34 439.2510681 0.08 444.5540466 0.61 446.2911377 0.85 447.3791199 0.28 467.3347473 0.07 473.9186096 0.08 475.2544861 0.11 505.0857239 0.56 514.5709839 0.05 515.4705200 1.52 516.7206421 0.23 520.5170288 0.34 525.4917603 0.28 531.5119629 0.35 535.5079956 0.58 538.2757568 76.30 539.2938232 16.47 540.3285522 1.45 543.3560181 100.00 544.3121948 21.24 544.9312134 0.20 545.5345459 1.46 551.0361938 0.42 557.4528198 0.45 571.5786743 0.11 625.4313354 0.28 635.5164185 0.45 656.5171509 3.49 657.4860229 1.78 763.4316406 2.74 764.5609741 0.63 765.6203613 0.08 781.4616699 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 679.37 Annotation Medicagenic acid 3-O-b-D-glucuronide Peak:m/z Relative Intensity 204.1709900 0.29 244.4134369 0.06 246.0482330 0.33 249.1442719 0.03 250.2409363 0.15 253.0320587 0.03 255.3211975 0.03 256.2650146 0.02 262.3383179 0.06 269.2335205 0.06 271.0590820 0.03 273.2567749 0.35 276.2794800 0.03 285.2454224 0.26 287.2173157 0.27 291.1511230 0.04 294.3404236 0.15 294.9588318 0.02 297.2741394 0.02 299.1860657 0.37 303.4697876 0.05 305.1759644 0.19 308.2878418 0.05 309.3272400 0.09 313.1868896 0.04 315.1429749 1.26 323.1092529 0.59 325.1596680 0.48 327.1677856 0.09 335.4603882 0.06 337.1867065 0.64 338.8961792 0.08 339.5675659 0.06 341.0826416 0.04 343.1887817 0.04 353.2625122 0.09 355.3449097 0.26 357.0515137 0.64 359.2976074 0.34 365.2439575 0.09 369.2078247 0.33 370.6704712 0.11 371.3320923 0.46 373.2931519 0.50 377.6100464 0.02 383.1579590 0.43 386.9819336 0.01 395.3818970 1.75 397.2289429 0.10 401.2306519 3.56 411.4664917 0.06 412.3781738 0.09 413.4572144 1.59 414.8743896 0.40 419.1678467 0.03 422.3611450 0.02 428.3652954 0.03 429.4624634 0.06 431.3969727 0.73 433.1978760 1.44 434.0494385 0.07 437.9844360 0.07 438.8231812 0.06 441.3315430 0.04 444.0081177 0.05 446.2268677 0.20 450.3641968 0.52 452.1871948 0.08 462.2310791 0.28 464.3477783 10.62 466.3685303 0.02 472.3279419 0.02 476.2472534 0.41 477.3731079 0.03 478.6421509 0.05 482.2992554 0.82 490.2293091 7.57 491.2080688 0.02 492.4500732 0.09 494.2164917 0.46 496.4247437 0.06 500.2439575 0.03 501.3835449 0.05 504.3520508 0.01 506.0512085 0.08 508.1268311 9.30 508.8355713 0.02 510.4140015 0.04 514.2482910 1.70 514.9226685 0.02 516.0701294 0.04 522.1851196 30.46 523.1689453 0.31 524.2167358 0.08 526.2409058 0.92 538.5802002 0.09 540.3605347 0.24 542.4628906 0.20 554.2550659 0.14 557.2082520 0.08 561.3718872 0.07 579.6328735 0.03 583.3692627 0.12 585.3387451 0.27 587.3113403 1.74 589.8531494 0.05 591.3314819 0.09 593.2000122 0.09 599.5825195 0.05 601.1177368 0.09 602.6946411 0.33 603.3416748 4.46 607.2390747 0.06 611.2286987 4.33 613.4328003 0.14 615.4245605 0.17 616.9762573 0.06 617.6143188 0.03 619.2861938 5.00 625.2864380 0.14 629.2907715 10.64 629.9246216 0.05 634.7463379 0.10 635.6081543 0.05 643.2960205 7.10 647.2695923 100.00 647.8867798 0.41 661.1723022 5.31 661.8475952 0.04 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1408.11 Annotation Unknow Peak:m/z Relative Intensity 439.2488403 0.22 455.2525940 0.10 483.5703735 0.10 501.6618042 1.42 543.4476318 0.22 627.2736816 0.22 629.5605469 0.27 633.6439209 0.13 719.5921021 0.21 761.5337524 2.77 779.4915771 0.14 799.6585693 0.10 905.5422363 0.79 907.5893555 0.33 967.5417480 0.70 995.4608154 0.07 1037.6276860 0.21 1039.6279300 2.94 1057.6384280 2.38 1081.8403320 0.38 1099.5249020 100.00 1100.2651370 1.22 1174.6430660 0.08 1195.6899410 0.08 1239.8566890 0.21 1275.5617680 0.40 1277.4123540 1.00 1303.6451420 0.21 1363.6125490 0.05 1388.9534910 0.32 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1275.5663 Annotation Unknow Peak:m/z Relative Intensity 439.5203247 0.57 440.5669861 0.17 441.5217590 0.27 455.6217041 0.30 501.3762207 1.18 502.0725708 0.84 543.7244873 0.40 544.7747192 0.42 587.3609619 0.24 630.4912109 0.26 647.4830933 0.19 648.6450195 0.16 677.2779541 0.11 757.6448364 0.79 758.6152344 0.94 762.3263550 1.60 794.7709351 0.24 801.7632446 0.28 810.5419922 0.14 864.6293945 0.43 905.7141113 1.05 907.2830811 0.49 909.5501709 0.20 925.8643799 3.09 926.6555176 6.45 927.5562744 5.99 940.2476807 0.16 950.6069336 0.83 966.9530029 1.07 967.5572510 24.96 968.5948486 100.00 969.5476074 21.47 1038.3342290 0.62 1039.4996340 0.15 1040.4997560 1.79 1041.3558350 0.22 1058.5364990 0.75 1059.7080080 0.20 1065.6604000 0.14 1099.5185550 14.51 1100.5490720 91.33 1101.6118160 27.03 1112.7956540 0.36 1124.5572510 0.15 1144.6993410 0.76 1145.6975100 0.09 1186.9228520 0.67 1232.0327150 0.13 1233.2927250 0.33 1258.3454590 1.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1034.4508 Annotation Unknow Peak:m/z Relative Intensity 298.9664917 0.12 312.3502502 0.07 313.1827698 0.12 316.0148926 0.12 335.1482544 0.15 336.1888428 0.21 337.3240356 0.15 338.2290344 0.08 340.2805786 0.05 353.6677551 0.05 356.2334595 0.51 370.9801941 0.19 390.4251709 0.05 394.2396545 0.19 395.2710266 0.05 399.1831970 0.42 410.2042542 0.06 416.4042969 0.48 421.4263306 0.11 423.0735474 0.12 429.2688293 0.14 432.7454834 0.10 433.5494080 0.06 438.2478638 0.25 440.5155029 0.10 441.9860229 0.17 442.6148071 0.05 449.2189941 0.21 451.5974426 0.07 453.5653076 0.18 455.4881287 0.09 456.9942322 0.15 457.8952942 0.15 460.0007324 0.14 466.4978333 0.09 468.5965576 0.13 473.5279541 1.19 474.3928223 0.11 478.3649292 0.08 489.2482605 0.40 491.1243896 0.11 492.4777832 0.27 498.2676086 0.26 499.3155518 1.05 502.4573975 0.25 507.3296509 0.40 508.4561157 0.13 509.0737000 0.09 510.1050720 0.06 512.3463135 0.56 517.4159546 0.16 523.3320312 0.09 525.5373535 0.08 527.2802734 0.16 528.1003418 0.24 529.4149170 0.27 535.2647705 0.07 538.3812256 0.83 540.4617920 0.79 543.1904297 0.32 551.1256104 0.30 552.2774658 0.40 553.1440430 0.26 555.2844238 0.21 560.4219360 0.08 568.4012451 0.26 570.3807373 4.10 572.3203125 0.05 575.5108643 0.05 579.5096436 0.05 588.3638306 0.18 590.5048828 0.29 593.3545532 0.07 594.1025391 0.22 595.5693359 0.13 596.7497559 0.09 597.5704346 0.25 603.3664551 0.46 603.9689941 0.23 604.6378174 0.06 605.8346558 0.11 607.8427734 0.25 609.4799805 0.48 612.6243286 0.12 615.1577148 0.15 616.4658203 1.06 618.0152588 0.98 618.9112549 0.10 619.5382080 0.26 620.3551636 0.07 627.5571289 0.30 633.4432373 0.89 634.4390869 5.55 638.3197632 1.22 639.3145752 0.17 642.2981567 0.75 644.4490356 0.43 645.3651733 0.32 646.3648071 10.93 647.1629028 0.58 648.5233154 0.26 649.4631348 0.13 651.0218506 0.64 653.6153564 0.32 655.5681763 0.36 656.5079346 0.19 658.2279053 2.02 659.4649658 4.21 660.4282837 19.14 661.5982666 0.87 662.3760376 0.38 664.4667969 0.24 666.4790039 0.20 667.4891357 0.31 668.5505371 0.18 669.5369873 0.14 670.2675781 0.09 672.4560547 0.21 673.5101929 0.77 674.4271240 0.10 681.4528809 0.14 682.4879761 0.65 684.9733887 0.08 686.3856201 0.18 688.2850952 0.10 689.1437988 0.36 689.7718506 0.05 691.4791260 0.15 692.4201660 0.04 693.3673706 0.24 694.3583374 0.06 696.4349365 1.64 697.4117432 1.09 698.4797363 0.16 700.3450928 0.57 701.1303101 0.22 703.2852173 0.39 709.3956299 0.23 710.5455933 0.61 712.9207153 1.52 713.5728760 1.62 714.3285522 0.10 715.2700806 0.19 721.8857422 0.17 722.5024414 0.26 725.4889526 0.27 726.3875732 0.08 727.3280029 0.08 731.3886719 0.25 734.2604980 0.05 738.0704346 0.33 740.1193848 0.94 747.2666626 0.10 748.4143066 0.18 751.8865967 0.25 752.8897705 0.13 754.3218384 0.85 755.3276978 5.19 756.4954224 0.15 757.6561279 0.31 758.4942017 0.95 762.6192627 0.07 765.1011353 0.19 766.4523926 0.53 771.3237915 0.05 772.4594116 3.30 773.6416016 1.11 776.5609741 0.12 778.8344116 0.10 782.2093506 0.07 784.5267334 0.15 786.3349609 0.22 788.4151611 0.52 789.2554932 0.26 790.5179443 3.14 793.6494141 0.21 797.7082520 0.09 800.3829346 0.05 801.4204102 0.10 803.6138916 0.12 805.2543945 0.06 809.5540771 0.57 811.6118164 0.32 816.4520264 0.36 817.2957764 0.06 818.2233887 0.94 818.8559570 0.43 823.4559326 1.24 824.5936279 0.19 826.3928223 0.10 827.7333984 0.11 830.2604980 0.77 833.4194336 0.39 834.2122803 0.11 835.2542725 1.82 836.6071777 0.57 838.5224609 0.18 840.3962402 0.10 846.7399902 0.16 848.2838135 0.17 848.9151611 0.05 850.6715088 0.38 853.4084473 1.29 855.3635254 2.05 856.5631104 0.87 857.3897705 0.40 859.5185547 0.17 864.8569336 0.54 865.5128174 0.02 870.3950195 0.10 872.3582764 0.87 873.4783936 0.87 874.8747559 0.18 875.6248779 0.47 876.4470215 0.37 878.3693848 0.07 881.4555664 0.23 882.5296631 2.09 885.2823486 0.05 886.9986572 1.01 887.6892090 1.64 893.6986084 0.13 894.6234131 0.74 895.4998779 0.07 897.6743164 0.07 899.4891357 10.94 900.3117676 0.69 901.5595703 0.27 905.6406250 2.06 909.6676025 0.11 910.6562500 0.65 911.6005859 0.31 912.4555664 0.78 913.4445801 0.25 914.7375488 1.05 916.9953613 0.46 917.6180420 0.97 927.4758301 0.35 928.4536133 5.08 929.5808105 4.72 930.3776855 0.26 934.4938965 0.09 935.5052490 1.20 936.5412598 0.27 938.0776367 0.08 938.8571777 0.76 941.9248047 0.05 952.4943848 16.36 953.5035400 11.36 954.6866455 1.04 955.4830322 0.96 956.5500488 3.70 960.9245605 0.06 970.4628906 100.00 971.5202637 4.29 980.5235596 0.21 981.8745117 0.05 983.2968750 0.31 984.3156738 0.29 985.5959473 0.37 986.2583008 0.05 992.5341797 4.80 998.4954834 0.52 1001.2817380 0.56 1002.4705810 0.91 1003.5565190 0.06 1017.3496090 63.97 1018.1210940 0.30 1019.2324220 1.04 1019.8728030 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1001.3708 Annotation Unknow Peak:m/z Relative Intensity 290.2971191 0.06 297.1861267 0.64 322.1235046 0.18 325.1116943 0.07 331.2648010 0.07 339.7932434 0.05 341.1813354 0.31 342.2559204 0.14 347.2279358 0.12 349.9937744 0.25 351.4342041 0.12 352.3068848 0.10 361.3495483 0.30 368.2641296 1.89 370.3031616 0.08 371.0327759 0.49 401.5092773 0.34 425.5583801 0.08 427.1494751 0.08 440.1654663 0.16 442.4229126 0.15 458.3420410 0.43 461.3944397 0.13 476.3814697 0.06 477.4306335 0.21 486.5048523 0.31 492.0003967 0.33 505.0624695 0.07 516.3972168 0.26 520.6076660 0.30 521.5328369 0.98 522.1992188 0.32 526.8493652 0.07 534.2682495 0.34 541.4586182 0.06 542.5982666 0.14 567.2549438 0.16 570.3863525 0.14 585.8638916 0.44 589.0692139 0.38 591.2592163 0.28 598.7084961 0.30 602.5065918 0.33 620.4948120 0.29 630.3245239 0.10 641.1231079 0.48 682.1351318 0.23 699.5393066 0.06 710.4382324 0.10 711.0953979 0.31 716.4638062 0.55 731.3927002 0.15 736.5761719 0.75 742.4094238 0.41 753.4928589 0.55 755.7258301 0.48 757.4433594 0.18 759.4959106 0.14 795.3270264 0.34 797.8000488 0.89 798.5661621 0.09 810.4382324 0.34 819.2382812 0.62 829.0644531 0.27 830.1320801 0.49 836.6381836 0.78 837.6970215 1.73 844.7615967 1.06 845.9091797 0.30 847.3218994 0.24 863.4470215 0.69 864.9240723 0.17 866.2744141 0.27 869.5163574 0.31 871.4759521 0.56 872.9066162 1.51 873.5682373 0.44 875.0688477 0.62 876.0883789 0.34 876.7377930 0.24 878.8145752 0.81 879.9707031 1.03 883.2241211 0.92 884.6550293 0.52 886.1237793 0.90 887.2606201 0.92 888.0118408 0.32 891.7293701 0.18 892.5222168 1.76 893.1423340 0.54 894.7294922 0.29 896.4998779 0.30 897.4714355 0.90 898.2015381 1.64 899.6812744 0.14 901.3759766 0.14 902.5926514 0.39 903.5207520 3.49 904.2403564 2.47 905.1262207 1.39 906.6022949 0.54 909.1573486 2.24 910.2796631 1.54 911.2435303 3.98 911.8674316 0.43 912.5584717 1.18 913.4561768 1.07 915.2689209 0.20 916.3281250 2.06 917.0698242 7.56 917.9555664 0.35 919.2038574 1.47 920.4780273 1.38 922.2117920 7.02 922.8937988 19.66 923.6234131 0.91 924.3150635 2.31 925.2093506 1.38 926.9937744 0.52 929.1505127 1.25 929.7613525 0.67 931.7956543 1.65 932.5163574 0.63 935.1395264 3.31 935.8997803 0.82 936.5288086 3.68 937.6882324 4.17 938.6074219 2.26 940.4151611 1.04 941.8900146 1.90 942.6206055 0.83 943.5734863 5.17 944.2578125 0.96 945.7072754 1.83 946.6807861 11.78 947.7595215 6.92 948.8620605 8.31 949.8409424 1.05 951.3881836 0.55 952.7794189 24.92 953.5241699 6.17 954.4101562 1.64 955.4877930 2.05 957.0880127 2.46 958.5699463 34.32 959.7165527 2.86 961.2474365 2.03 962.6071777 2.09 963.5535889 1.77 964.1604004 0.04 964.8424072 6.90 965.8247070 3.74 966.4699707 0.55 967.5502930 2.94 968.4678955 1.96 969.3796387 1.77 970.5112305 0.75 971.6411133 12.23 972.8566895 2.47 973.5496826 2.12 974.5816650 0.90 975.7355957 1.57 977.4199219 12.66 978.2889404 8.70 979.4244385 3.25 980.3809814 1.80 981.5114746 8.13 982.4101562 4.15 983.6473389 2.13 984.8588867 31.79 985.7602539 10.68 986.9924316 11.64 987.7354736 26.26 989.4567871 0.95 990.8037109 100.00 991.5638428 3.61 992.4057617 1.59 993.1950684 2.92 994.0747070 0.13 995.6445312 0.51 997.1072998 0.12 1000.4616700 0.25 1003.9709470 0.14 1013.3061520 0.10 1016.0864260 0.05 1020.1032710 0.30 1023.1057130 0.33 1027.3557130 0.26 1029.4121090 0.12 1030.7036130 0.10 1036.4538570 0.32 1037.3842770 0.73 1043.6330570 0.45 1063.2546390 1.07 1069.5434570 0.15 1071.2316890 0.44 1080.5482180 0.64 1084.0568850 0.80 1088.4357910 0.33 1091.6230470 0.58 1095.4680180 0.11 1101.0541990 0.29 1105.1741940 0.22 1107.7414550 0.30 1112.6754150 0.47 1119.9812010 0.63 1126.7628170 0.28 1128.9338380 1.06 1130.5140380 1.23 1137.0415040 0.27 1137.8898930 0.48 1139.6501460 0.23 1141.3751220 0.31 1142.4174800 0.29 1146.0070800 0.87 1148.6594240 0.38 1153.1816410 0.84 1154.2081300 0.13 1159.9729000 0.48 1161.3233640 0.50 1163.9107670 0.65 1169.2551270 0.63 1170.4144290 0.93 1171.8179930 0.47 1175.1553960 0.41 1176.3382570 0.40 1179.5910640 0.31 1182.0732420 2.15 1186.1408690 0.58 1187.2489010 0.99 1188.7691650 0.43 1189.8750000 0.70 1190.7016600 0.06 1192.3044430 0.35 1194.1632080 0.26 1195.5314940 0.59 1198.9407960 1.10 1202.1767580 0.44 1203.5327150 0.22 1204.5858150 0.17 1207.5886230 0.06 1208.6640620 0.69 1210.8302000 0.49 1211.8679200 0.23 1213.4580080 0.59 1214.2187500 0.32 1215.2807620 0.74 1216.5119630 1.41 1217.1901860 0.11 1218.1293950 1.82 1219.0720210 1.29 1220.1278080 0.49 1223.2550050 0.30 1224.2918700 0.66 1225.2595210 0.18 1226.8552250 1.08 1228.6907960 0.21 1232.7634280 0.37 1233.7716060 0.67 1234.9443360 0.33 1235.7075200 0.88 1236.8251950 3.83 1237.7835690 0.98 1238.6573490 0.54 1239.4040530 0.43 1240.3173830 1.24 1241.2402340 0.49 1244.1752930 0.82 1246.1684570 0.47 1246.9541020 0.25 1247.9364010 0.17 1250.4608150 0.38 1254.0059810 1.94 1254.6929930 0.32 1255.5888670 0.53 1257.6308590 1.01 1259.6340330 0.26 1260.2456050 0.25 1262.0136720 0.55 1262.8312990 0.78 1264.5751950 0.52 1265.2189940 0.33 1267.0341800 1.34 1267.7275390 0.74 1268.4465330 0.17 1272.9360350 0.17 1273.9499510 0.40 1274.8614500 0.64 1278.2167970 0.48 1280.5944820 0.61 1282.3685300 1.88 1283.2766110 0.84 1284.8021240 1.92 1285.7773440 0.59 1286.7189940 0.25 1288.6826170 1.36 1290.1384280 0.38 1291.1801760 1.99 1292.0794680 0.13 1293.6483150 0.59 1295.4683840 0.31 1297.0360110 1.77 1299.2648930 2.11 1300.2578120 1.41 1300.9339600 1.13 1301.8187260 1.69 1302.5601810 2.31 1303.3497310 0.96 1304.2435300 0.63 1306.6431880 0.95 1307.7866210 0.58 1308.6597900 0.65 1309.8813480 3.44 1310.8626710 10.78 1311.6657710 4.92 1312.6016850 0.45 1313.3946530 0.30 1314.7750240 0.96 1315.7845460 0.69 1316.6862790 0.89 1317.9534910 0.80 1319.0074460 7.05 1319.7456050 11.02 1320.6693120 2.02 1321.4479980 0.64 1322.0579830 0.48 1324.5548100 1.19 1326.7984620 0.35 1328.4031980 3.21 1329.5217290 0.91 1332.5993650 1.20 1333.2088620 0.54 1333.9744870 0.40 1336.0614010 0.60 1336.7188720 1.08 1337.8604740 2.32 1338.8259280 0.69 1339.6688230 1.43 1344.8249510 0.50 1346.0222170 0.65 1347.0589600 2.19 1348.2193600 0.93 1348.9633790 1.03 1349.7335210 0.27 1350.6505130 0.59 1351.6418460 0.49 1352.7067870 1.38 1354.1414790 0.42 1355.1636960 5.13 1355.9647220 1.71 1357.6452640 0.39 1358.5321040 0.76 1359.2236330 0.29 1360.1939700 1.01 1361.2565920 1.16 1362.7711180 1.62 1363.8052980 3.15 1364.6427000 1.61 1365.2908940 0.27 1366.6665040 1.83 1368.8640140 1.28 1369.5179440 0.29 1371.0576170 0.10 1372.2340090 2.19 1373.1243900 3.58 1374.3353270 1.04 1375.2818600 3.74 1376.1859130 0.27 1377.6068120 0.49 1378.3751220 0.42 1381.3615720 0.84 1382.9969480 2.12 1383.9283450 5.22 1384.7486570 1.56 1385.7167970 0.67 1386.5014650 0.88 1387.5098880 1.60 1388.7591550 1.60 1390.6197510 0.66 1391.9141850 0.17 1393.9571530 0.45 1394.9062500 2.14 1395.7116700 0.23 1397.8659670 0.56 1398.5726320 0.58 1399.6793210 0.19 1401.3670650 1.45 1402.2889400 0.97 1403.9257810 1.03 1405.5839840 0.70 1408.4980470 0.70 1409.3469240 0.23 1410.2517090 0.82 1411.0157470 1.76 1412.6390380 3.61 1413.5346680 0.90 1414.2579350 1.35 1416.5394290 0.56 1417.2064210 0.37 1418.9697270 1.16 1420.2816160 2.94 1421.4510500 2.52 1422.3428960 2.28 1422.9440920 0.15 1424.3837890 0.38 1426.3182370 0.27 1428.3243410 3.22 1429.0865480 5.11 1430.0028080 6.99 1431.0838620 2.76 1432.0460210 0.96 1433.5151370 0.18 1435.7691650 0.27 1437.1212160 10.17 1438.1115720 3.51 1439.0535890 6.53 1439.8594970 3.35 1440.5777590 0.44 1443.0676270 0.36 1445.2766110 0.91 1446.3216550 2.08 1447.3768310 0.56 1450.6892090 0.41 1451.2891850 0.19 1452.1245120 0.69 1455.4459230 0.20 1459.2932130 0.44 1461.2641600 0.21 1463.5921630 0.43 1473.7034910 0.16 1481.5190430 0.51 1483.4985350 0.37 1498.6405030 0.38 1500.0673830 0.70 1510.3269040 0.47 1531.8706050 0.30 1647.3944090 0.31 1654.7344970 0.14 1666.1434330 0.22 1707.8048100 0.24 1711.3239750 0.11 1769.1514890 0.24 1792.5736080 0.17 1814.7044680 0.06 1837.8668210 0.13 1866.8288570 0.34 1877.7009280 0.13 1895.2897950 0.11 1920.9187010 0.17 1994.7198490 0.14 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1067.1327 Annotation Unknow Peak:m/z Relative Intensity 303.4577332 0.13 310.5000000 0.28 315.3054810 0.32 325.4461975 0.50 329.4334412 0.88 336.1079102 0.35 342.3024902 0.32 353.5609741 0.31 355.3863220 0.27 363.4226379 0.65 376.1854553 0.20 379.2410583 0.19 381.2511597 0.23 391.5315857 0.27 393.0239868 0.42 396.4281616 1.06 398.5640259 1.64 399.4618530 1.52 405.4441528 0.28 409.3060913 0.62 410.5420837 0.86 420.6896973 0.91 425.1922302 0.16 426.3961792 0.93 427.2703552 0.41 431.1562500 0.43 434.3347168 0.17 458.4416504 0.25 460.3021851 0.84 461.1072388 0.55 463.1344910 0.26 477.7536011 0.57 481.4522095 0.80 487.3192139 0.19 492.1955566 1.60 493.2617493 0.37 503.2151489 0.21 504.4418640 0.74 509.3920288 5.21 510.2815247 1.29 515.3981934 0.23 521.3211670 0.45 522.1430664 1.37 524.2116089 0.80 532.3757324 1.51 537.1417847 0.35 538.3800049 0.27 539.8175049 0.57 541.5616455 0.19 543.2744141 0.33 545.5627441 2.39 552.8682861 0.75 556.5773315 0.41 557.4331055 0.68 564.5587158 0.09 566.9340820 0.66 572.6134033 0.83 573.3695068 0.47 575.1289062 0.58 579.5216064 0.74 584.9910278 0.19 590.0666504 0.24 592.3618164 2.38 594.4707031 0.35 595.9414062 0.26 597.2569580 0.16 600.6635742 0.27 602.8262939 1.09 603.4434814 0.40 604.3862305 0.24 605.8129883 0.31 609.5626221 0.77 610.4521484 0.29 611.6699219 1.21 617.7586060 0.13 622.2971802 0.63 628.5764160 9.47 629.4515991 0.52 630.2781372 0.25 632.9833984 1.29 635.5765991 1.22 637.4055176 0.25 638.2965088 0.14 640.2941895 0.21 643.1322632 0.46 650.7700195 0.30 665.1347656 0.53 666.5006714 0.11 668.1401367 2.14 668.8723145 0.17 687.2254028 0.14 688.4666138 0.16 690.2471313 0.42 698.6239014 0.38 703.5145874 2.27 704.4617920 1.55 707.5451050 0.31 714.7310791 0.54 715.3607788 0.09 718.4809570 0.12 720.6195679 0.25 723.6356812 7.79 724.4857178 0.39 725.6507568 1.32 726.4453735 0.55 731.5578613 0.52 732.9659424 0.65 737.4699707 1.62 739.4642944 0.20 743.4758301 13.75 744.3685303 4.00 745.7341309 0.39 747.4191895 0.32 751.4081421 0.13 754.2061768 0.83 754.8966064 1.07 756.2973633 1.11 757.9378052 0.81 759.7020264 0.55 761.4154053 0.31 762.3958130 2.51 769.5180664 0.64 771.8116455 0.91 772.6704712 1.73 773.8250732 0.44 775.6225586 0.61 779.5765991 1.24 781.3175049 20.74 782.2214355 3.43 782.8875122 0.39 784.7065430 0.23 789.4326172 0.34 790.4775391 1.08 796.1538086 0.96 800.7050781 1.51 802.3159180 0.99 804.7272949 0.45 808.6197510 0.56 812.6293945 0.20 815.5018311 0.21 818.4136963 23.16 819.4689941 8.95 820.7541504 3.62 821.7546387 1.65 824.6655273 0.60 826.5601807 1.45 827.4099121 0.20 835.0688477 0.28 838.4232178 2.02 839.6569824 0.38 843.6376953 0.21 844.3183594 1.03 846.6766357 0.27 847.6518555 0.53 851.8208008 0.23 853.0283203 4.04 855.0784912 0.45 858.6182861 1.50 859.4140625 0.55 862.6196289 1.91 868.1282959 0.82 869.3706055 1.08 872.1674805 1.06 881.5009766 0.65 884.3873291 0.52 885.5688477 1.42 887.3841553 1.12 888.0419922 0.40 894.1047363 2.21 895.1423340 1.88 897.8050537 0.20 900.2703857 0.54 901.2790527 1.18 902.9156494 0.67 903.5358887 0.80 909.7838135 2.17 915.3204346 7.73 917.1604004 2.86 917.7733154 0.42 918.5742188 0.55 920.2885742 1.44 922.0163574 1.40 924.3780518 1.46 925.4666748 3.98 928.0064697 1.68 929.1124268 1.87 929.8302002 1.07 931.0386963 7.47 931.7199707 0.41 932.9830322 2.71 933.7720947 1.70 935.3200684 1.05 937.9187012 3.80 940.9632568 0.68 941.9538574 1.93 944.1467285 1.00 945.6978760 0.64 946.8453369 1.61 947.5919189 2.69 948.3289795 3.23 949.5133057 0.12 951.0280762 1.47 952.0462646 0.70 954.4647217 0.98 956.8432617 3.35 958.6372070 0.63 959.3839111 0.20 960.3399658 0.78 961.6748047 1.01 962.7836914 2.54 963.4229736 2.06 964.7640381 3.96 967.2832031 1.59 969.6417236 1.59 971.4794922 0.43 974.3930664 6.29 976.3251953 4.59 978.1080322 0.74 980.0576172 12.03 980.9243164 1.72 981.5805664 0.52 982.8564453 2.24 983.6717529 0.71 985.9414062 20.25 986.6555176 7.11 987.5241699 0.85 988.5122070 1.05 990.7391357 3.90 991.9173584 9.96 992.6358643 9.32 993.4978027 2.35 995.2247314 3.79 996.5800781 1.78 997.5555420 10.99 998.4425049 1.18 1000.3776860 1.12 1001.1162110 1.55 1002.7570800 3.39 1005.6713870 5.18 1006.5035400 2.40 1009.2062990 8.38 1010.0628660 1.62 1011.6956790 4.51 1012.6641850 12.49 1013.5434570 1.53 1014.1550290 1.41 1015.0760500 3.51 1016.9504390 3.07 1018.0927730 28.59 1019.1823730 3.50 1020.4063720 3.82 1021.7692870 0.46 1022.7991940 0.51 1023.4472660 23.32 1024.3272710 83.35 1026.8347170 0.77 1028.3139650 2.68 1029.8626710 100.00 1030.9807130 3.52 1031.8908690 3.71 1032.9653320 2.11 1034.5716550 2.68 1035.5133060 0.63 1037.0817870 2.68 1038.0435790 0.57 1039.8481450 0.81 1042.4157710 1.44 1044.0802000 4.77 1045.1118160 1.26 1046.8332520 6.91 1048.7543950 0.38 1050.0646970 13.85 1050.8569340 0.68 1052.4775390 21.72 1053.1696780 6.49 1055.7130130 21.40 1056.3964840 7.43 1058.4666750 0.25 1067.8959960 0.25 1074.6754150 0.59 1075.8452150 1.12 1078.3728030 1.35 1082.0996090 1.16 1084.7563480 0.99 1085.4066160 1.07 1086.5101320 0.41 1087.4763180 0.41 1088.5382080 0.50 1092.7575680 0.79 1099.4437260 0.72 1104.6354980 0.29 1107.6234130 0.83 1109.1151120 1.26 1109.7583010 0.77 1110.6647950 0.76 1113.9367680 0.14 1116.1384280 0.85 1117.1406250 0.60 1118.0358890 0.94 1119.3867190 1.49 1124.2352290 0.79 1125.1130370 0.77 1126.0808110 2.83 1126.8151860 5.02 1128.3724370 1.93 1130.1567380 1.00 1132.5065920 0.53 1134.9873050 3.11 1135.8050540 5.81 1136.7336430 1.34 1137.5241700 0.12 1139.8520510 1.86 1140.5594480 0.17 1142.2557370 2.32 1143.4439700 0.50 1147.5576170 2.33 1148.5646970 0.62 1149.1773680 1.01 1149.8837890 0.74 1153.6241460 0.43 1158.1152340 1.13 1159.8800050 0.42 1164.1069340 0.85 1164.9168700 1.96 1166.1838380 1.34 1167.3630370 1.63 1168.8668210 0.69 1173.6470950 0.19 1175.7326660 0.25 1176.5802000 3.77 1180.0583500 0.92 1181.0424800 1.64 1183.1778560 13.46 1183.9431150 3.40 1184.6140140 1.88 1185.7288820 0.22 1187.2041020 0.63 1188.8198240 0.91 1190.0200200 0.57 1191.8812260 32.64 1192.7525630 12.29 1193.8234860 1.25 1196.6009520 0.28 1198.0743410 1.51 1200.9089360 0.96 1202.1478270 1.00 1203.0056150 1.06 1203.9661870 0.45 1205.2082520 0.25 1206.5319820 1.52 1212.3928220 1.23 1215.2539060 0.73 1219.8825680 0.74 1220.4866940 0.22 1221.1530760 1.91 1222.8869630 1.60 1224.2149660 2.87 1226.9562990 0.36 1229.4293210 7.79 1230.1540530 5.96 1230.8590090 1.10 1231.6650390 0.26 1233.7655030 0.83 1235.4650880 0.40 1239.2756350 2.37 1240.2039790 1.23 1242.1495360 0.35 1244.8760990 0.27 1248.1920170 1.10 1249.3620610 0.86 1250.2233890 0.54 1256.2170410 1.20 1257.6374510 1.71 1258.6240230 0.97 1259.7021480 0.34 1262.2293700 0.53 1263.9965820 1.22 1264.8083500 1.53 1266.2193600 0.70 1267.6073000 0.88 1268.5058590 0.42 1270.2164310 2.27 1273.6123050 0.89 1274.3747560 2.00 1276.1342770 1.74 1277.9108890 1.25 1278.8570560 2.50 1280.1071780 1.71 1281.5292970 3.50 1284.2019040 0.77 1287.1044920 0.18 1288.2783200 3.62 1289.5903320 1.54 1290.9931640 2.97 1295.2969970 1.64 1298.1464840 2.53 1299.3411870 1.92 1300.6950680 0.25 1301.7224120 0.32 1304.6923830 4.16 1305.7148440 0.53 1306.7098390 2.09 1308.6140140 1.88 1309.5369870 3.50 1311.4063720 0.76 1312.6795650 1.65 1315.8570560 3.01 1316.7373050 0.41 1317.6047360 7.82 1318.3852540 4.83 1319.2004390 2.18 1320.2188720 2.28 1321.7681880 1.97 1323.3194580 1.65 1324.4670410 1.15 1325.3660890 1.62 1327.9425050 0.96 1328.8283690 2.26 1330.3741460 5.62 1331.5704350 2.86 1333.3161620 0.89 1334.8508300 0.79 1335.8538820 3.22 1336.9744870 8.88 1338.4575200 11.26 1339.2935790 1.63 1340.5606690 3.05 1341.3162840 3.16 1344.5167240 2.45 1346.0343020 24.62 1346.8001710 54.54 1347.8189700 8.53 1349.8471680 2.38 1353.1905520 1.52 1355.6442870 1.33 1358.0664060 0.83 1360.6312260 0.22 1362.7608640 0.51 1365.5740970 2.00 1371.2629390 0.93 1371.9007570 1.35 1372.8270260 5.71 1373.8841550 2.42 1374.9510500 0.39 1377.1529540 1.08 1378.5303960 1.29 1379.8720700 4.21 1380.6888430 2.31 1382.3298340 0.51 1383.4047850 1.01 1384.3543700 3.22 1385.9051510 0.72 1386.9787600 5.11 1387.9191890 7.29 1388.7510990 2.11 1389.4705810 1.82 1390.2503660 1.86 1391.0761720 0.28 1392.0577390 1.34 1393.3586430 4.44 1394.1159670 1.62 1394.7791750 3.27 1395.9587400 10.23 1396.9228520 4.63 1399.1901860 1.02 1401.7962650 42.29 1402.6895750 11.99 1403.4166260 3.36 1404.3387450 2.65 1405.1546630 2.10 1405.7791750 0.47 1407.6488040 1.23 1410.0855710 6.17 1410.9195560 13.30 1411.8432620 0.38 1412.9615480 5.32 1413.6053470 1.10 1414.3101810 1.99 1417.1972660 0.70 1419.3109130 1.02 1421.7191160 3.76 1422.9305420 4.46 1428.7325440 3.52 1429.5173340 2.28 1430.4763180 1.67 1431.7760010 0.31 1436.1453860 0.86 1437.2342530 11.69 1438.0878910 3.20 1443.0715330 0.51 1444.2591550 1.59 1446.0726320 86.74 1446.9274900 27.58 1448.6894530 2.31 1450.0405270 3.55 1450.9981690 1.61 1452.2930910 0.42 1453.3365480 0.26 1454.4681400 0.40 1457.2945560 0.34 1460.2076420 1.90 1461.5574950 2.44 1464.1604000 3.67 1464.9224850 2.19 1466.7948000 0.92 1468.6145020 2.96 1469.4584960 9.43 1470.2780760 2.35 1471.8253170 3.40 1474.0046390 0.18 1477.0555420 1.49 1478.1180420 34.47 1479.0650630 14.74 1479.9813230 1.90 1480.8758540 1.42 1486.7429200 6.96 1487.5101320 1.42 1488.5213620 3.21 1489.4095460 0.18 1492.6444090 0.62 1493.7955320 6.51 1495.4851070 40.46 1496.2860110 18.58 1496.9875490 5.50 1497.6678470 0.57 1498.9377440 0.93 1500.7755130 0.60 1503.2615970 0.69 1506.7110600 0.22 1508.7489010 0.83 1509.7025150 0.29 1510.5177000 1.03 1512.4212650 0.50 1517.7481690 0.69 1519.1854250 0.07 1522.0441890 1.11 1526.2230220 1.38 1527.2154540 1.58 1528.5902100 0.74 1531.7303470 0.10 1533.0443120 1.63 1535.2309570 5.46 1536.2557370 2.13 1537.6492920 0.44 1543.2139890 0.14 1544.1434330 10.26 1544.8931880 4.54 1545.6947020 1.72 1547.9675290 0.41 1549.3021240 1.01 1551.9221190 0.77 1552.7197270 1.26 1557.0406490 1.91 1557.7442630 0.72 1561.0617680 1.87 1561.9389650 0.79 1562.9603270 1.33 1565.9460450 1.42 1566.7509770 0.72 1582.2091060 0.21 1584.2691650 0.21 1595.7769780 0.31 1606.2084960 0.71 1607.6193850 0.45 1608.7640380 0.67 1618.9344480 0.20 1621.7701420 0.96 1622.8480220 1.53 1623.5982670 0.88 1627.8081050 0.26 1629.5718990 0.50 1639.8199460 3.75 1640.7211910 6.07 1641.6303710 3.07 1642.3494870 0.85 1651.0213620 0.73 1651.6365970 0.73 1659.7625730 0.39 1662.8026120 0.82 1669.6070560 0.67 1705.7869870 0.19 1709.5612790 0.32 1710.4757080 0.62 1713.8396000 0.47 1719.5479740 0.26 1723.4689940 0.08 1727.0329590 0.25 1735.0853270 2.88 1736.7137450 0.79 1737.8934330 1.32 1738.8537600 0.85 1740.0765380 0.21 1746.9639890 0.57 1749.9510500 0.29 1750.7601320 6.48 1754.7927250 2.57 1755.9095460 0.79 1756.7137450 0.98 1760.6055910 0.18 1780.1428220 0.64 1786.5538330 0.53 1813.8361820 0.89 1817.8498540 0.90 1821.9754640 0.29 1826.9337160 1.11 1830.8780520 0.47 1849.1304930 0.37 1850.4792480 0.38 1853.8480220 0.72 1855.7940670 0.59 1865.4133300 0.78 1867.0753170 0.87 1873.8302000 0.14 1874.7886960 2.31 1886.0946040 0.42 1892.7698970 0.31 1902.8341060 1.56 1922.6519780 0.40 1940.0150150 0.90 1943.8912350 0.48 1947.8009030 0.72 1948.9119870 1.47 1955.5838620 0.14 1956.7467040 0.38 1967.4210210 0.35 1968.8375240 0.46 1977.1395260 0.75 1980.8366700 0.72 1981.6745610 0.18 1983.4968260 0.10 1984.7989500 0.44 1985.8465580 1.40 1986.5567630 0.10 1993.1402590 0.33 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 709.14 Annotation Fucophlorethol-B octa-acetate Peak:m/z Relative Intensity 199.7401428 0.34 204.8875732 0.07 208.1025848 0.08 216.0917358 0.14 216.8212585 0.12 221.3829193 0.10 223.1054077 0.45 227.0678711 0.24 230.4511566 0.11 231.2496338 0.19 233.1936646 0.55 235.0072632 0.23 243.1729736 0.06 243.8731079 0.44 245.2062225 0.06 247.4049530 0.05 254.5401001 0.08 259.1116638 5.44 261.3334961 0.12 271.1063232 0.34 289.1532288 0.37 291.3031006 0.28 292.9567871 0.18 299.0631409 0.20 311.1961365 0.15 312.3014526 0.02 313.3265991 0.05 325.3871155 0.15 327.1464233 1.58 327.9670410 0.05 329.0332642 0.07 332.6810303 0.10 333.3239136 0.04 337.4393311 0.25 339.1804199 0.54 342.0360413 4.77 343.0368652 0.49 351.1644897 39.93 355.1569214 0.82 357.1130981 22.51 367.2181396 1.54 368.7688599 1.05 370.1204224 1.81 381.3667603 0.20 383.3143311 0.61 393.5331421 0.07 395.1306152 0.32 397.1379395 0.04 399.1876221 2.64 409.3341064 0.03 410.3704834 0.30 421.0732422 0.08 425.1727905 0.50 427.3379517 0.04 435.0555420 0.08 439.0263672 0.15 448.0112915 0.07 453.2680664 1.76 485.2623901 1.08 515.1851807 100.00 533.2849121 0.11 611.6121826 0.20 630.4826660 0.05 676.1031494 0.10 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 985.43 Annotation Unknow Peak:m/z Relative Intensity 291.5447693 0.04 304.7965698 0.13 307.0047607 0.12 379.5742493 0.05 483.5378418 0.85 484.4171753 1.74 485.5688171 1.24 486.4737244 0.04 487.4698181 0.33 497.8561401 0.04 499.2477417 0.39 500.4693604 0.20 501.4402466 0.37 511.5488281 0.11 543.7129517 0.23 579.5885010 0.27 582.8012695 0.04 583.5946045 0.18 587.1273193 0.18 594.7281494 0.20 595.6662598 0.14 597.4764404 0.07 599.2575684 0.16 601.6126099 0.91 644.4521484 0.07 645.8001099 0.05 659.3364258 1.34 663.3293457 0.36 703.0449219 0.20 703.6984253 0.03 717.6992188 0.17 751.0005493 0.13 757.5006104 0.47 773.6241455 0.44 779.5383301 1.08 801.3344727 0.08 807.5802002 0.94 810.1389160 0.12 820.9031982 0.40 821.5261230 8.90 822.2197266 0.23 823.7218018 0.35 825.5297852 88.90 826.1789551 0.21 837.5285645 0.76 847.5778809 0.11 853.3869629 0.55 864.2794189 0.28 865.5247803 10.65 879.4757080 0.19 881.5671387 1.62 883.5159912 35.76 895.6497803 0.11 909.5449219 0.08 913.6345215 1.12 923.5731201 0.84 925.3062744 2.37 926.3660889 2.18 927.2622070 0.08 927.8817139 0.18 940.8364258 5.38 941.4716797 100.00 942.2080078 0.08 967.3867188 0.75 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 485.1773 Annotation Unknow Peak:m/z Relative Intensity 142.9231873 0.76 145.0495911 1.95 146.0613708 4.88 151.0303802 0.14 158.0508118 0.18 159.0435028 3.12 160.1896820 3.44 161.0356293 37.60 162.1053162 0.13 163.0170593 0.41 170.0827942 0.20 171.0617981 0.12 172.8684387 0.50 175.1072998 8.19 179.0458527 0.86 185.1193542 1.51 189.0911407 73.29 190.3189697 0.62 201.0248413 0.37 203.1102448 36.49 211.4195557 0.33 215.1766968 0.95 216.9714813 0.99 221.1641388 12.12 227.2548523 0.51 229.1057739 3.72 231.0984497 2.60 233.1972961 0.58 241.0361938 0.58 243.0481873 0.56 245.1224670 0.49 247.1338806 0.24 257.1901855 0.90 258.3868408 0.66 259.1619873 3.75 261.1094055 1.60 269.0967407 0.41 275.8997498 1.24 277.2335815 3.18 286.1172791 0.27 287.1500244 1.66 295.2322998 1.74 303.1401978 0.09 305.1448364 100.00 309.8597412 0.30 315.2526855 0.21 318.8832703 0.30 323.1596985 21.83 346.3202209 0.19 363.3144531 0.18 364.1878662 0.40 365.3165588 0.45 371.1696777 1.95 383.4593201 0.28 387.3259583 3.85 396.3436279 0.21 398.1126099 0.28 411.2422791 1.68 412.2239075 0.35 413.1930237 0.29 423.4688721 0.31 425.2042542 0.35 426.1637878 0.48 427.2530823 1.89 438.4192810 0.97 439.1664124 4.43 440.5818176 0.74 441.7774048 0.10 449.5240784 1.75 453.2661133 0.28 454.2734375 3.75 455.2327881 6.59 456.3291321 0.26 457.2739868 11.85 463.1821899 0.18 466.2859497 1.83 467.3604126 24.39 468.3097229 0.58 476.1454773 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 461.29 Annotation Achyranthesterone A Peak:m/z Relative Intensity 135.0193481 0.20 139.0661011 0.15 143.0843506 0.23 149.0792542 0.09 153.2296906 0.03 154.9835815 0.07 157.0952606 0.27 159.2272491 0.34 162.5775299 0.08 165.8882751 0.05 168.2137756 0.09 169.1012726 0.28 171.0748901 0.32 173.0226440 0.24 175.2183838 0.22 176.9515686 0.41 178.2762146 0.06 179.0124512 0.21 181.0559998 0.08 183.1502228 0.10 185.1461945 0.21 187.1273499 0.21 189.2123413 0.70 193.1522827 0.13 197.2161713 0.35 197.9391174 0.07 199.1777039 0.68 201.1010742 0.34 202.9546356 0.09 205.2916870 0.40 207.1131287 0.75 209.1803894 0.07 211.2677917 0.34 213.2064209 0.73 215.0511322 0.81 217.2004089 0.13 219.1903992 0.16 220.3372803 0.04 221.1899261 0.51 223.0273438 0.09 225.3688202 0.12 227.1881409 1.88 229.2483521 0.89 233.3069458 0.16 235.1697845 0.19 237.1058044 0.23 237.9044189 0.14 239.2816162 0.08 241.2485962 0.09 243.1096802 0.50 245.0874939 1.06 246.9664917 0.48 249.3107605 0.69 251.2259827 0.64 253.2518005 0.34 254.9920044 0.23 257.3593445 0.23 259.2492676 0.14 261.1184082 0.07 263.1913147 0.68 265.2279053 0.12 266.1562805 0.20 267.3287354 1.09 269.1403809 0.46 271.2429199 0.70 273.1651001 0.17 275.0643616 0.20 277.3003235 0.05 279.2713318 0.44 281.2899170 2.93 283.2756042 0.45 285.2532349 0.82 287.3930969 0.80 289.2821655 1.04 291.2785645 0.72 293.3241882 0.16 295.1223450 0.17 297.3506470 0.53 299.2909241 2.94 301.2774048 10.77 303.2424622 0.47 305.3394165 0.35 307.0127563 0.19 309.1973877 4.29 311.3355713 1.31 315.2842407 0.38 317.2449341 10.87 318.1582031 0.19 319.3441162 0.53 321.4830322 0.04 323.4607544 0.36 325.3283691 1.02 327.2162476 13.71 329.2159424 1.90 331.5859070 0.06 333.2265320 0.48 335.2408447 0.56 337.3826904 0.06 339.2491760 0.34 341.3020935 0.06 343.3309937 9.01 345.2357483 13.84 347.2845459 1.43 349.2478638 0.34 351.2517700 0.85 353.3435669 0.56 355.4261169 0.07 357.2626038 0.95 359.1516418 0.12 361.2821960 0.18 363.2530212 12.75 365.4470520 0.64 367.5021057 0.78 369.4721375 0.26 371.3350830 0.55 375.2722473 0.27 379.3418274 0.19 383.3417664 0.24 385.2966309 1.48 387.3876953 0.51 389.3454285 2.17 392.3757019 0.12 397.4513855 0.05 399.2284241 0.12 401.4345703 0.24 407.3063049 8.62 407.9214172 0.03 415.9922485 0.06 417.1406250 0.15 425.2893372 21.73 425.8932495 0.12 443.2737732 100.00 443.9657288 0.39 452.3643494 0.32 453.3420715 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1395.598 Annotation Unknow Peak:m/z Relative Intensity 420.3024292 0.10 425.4804688 0.26 437.3054199 0.16 439.6682129 0.19 455.5804443 0.28 483.2764893 0.61 501.5153809 1.41 502.3297729 0.62 525.4864502 0.13 543.3468018 0.99 573.2966919 0.07 629.8410645 0.21 663.5457764 0.09 748.3779297 0.09 749.3083496 0.37 751.0303955 0.11 775.2936401 0.06 809.3541260 0.72 810.2755127 1.00 907.6180420 0.46 937.8220215 0.12 942.7869873 0.23 955.5898438 2.37 956.4517822 0.89 1026.6306150 0.26 1087.5229490 100.00 1088.6295170 40.02 1089.5588380 0.21 1090.7385250 0.30 1183.4965820 0.12 1203.1973880 0.15 1228.8779300 0.23 1247.6667480 0.15 1263.5947270 0.15 1264.5070800 0.08 1265.5551760 0.82 1266.5383300 0.18 1291.5997310 0.13 1305.5537110 0.43 1333.2109380 0.17 1352.6567380 0.37 1377.5712890 0.11 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 1102.5992 Annotation Unknow Peak:m/z Relative Intensity 321.4902039 0.19 389.5656128 0.47 399.5201721 0.34 416.2984619 1.74 417.2312927 0.21 425.3858032 0.17 500.1022644 0.18 511.7023315 0.24 545.6484985 0.28 546.5004883 0.51 563.3930664 11.19 564.2487183 0.95 656.5986938 0.11 673.5330811 0.18 674.4206543 0.79 676.5551758 0.13 691.5604248 9.36 692.6181030 1.57 705.3902588 0.65 709.7017822 0.56 716.1904297 0.08 729.0646973 0.81 785.0600586 0.36 790.1428223 0.63 805.4562988 0.42 822.5379639 8.75 823.2668457 4.63 824.2496338 2.08 831.0904541 0.54 833.5819092 0.95 857.7003174 0.13 875.7364502 0.16 876.4641113 0.21 877.1584473 0.92 882.7390137 0.65 889.7302246 0.20 893.5546875 9.99 894.6104736 3.18 895.6768799 0.71 903.5944824 1.03 916.4523926 3.11 922.1367188 8.39 925.4837646 1.05 944.8688965 0.35 956.8218994 0.61 962.5972900 0.78 963.6343994 1.34 964.8505859 0.20 971.2235107 6.40 972.7441406 0.24 975.5943604 0.37 980.5534668 20.97 981.6130371 5.98 982.8250732 0.52 990.4768066 0.52 995.4843750 2.31 996.1602783 0.27 1010.7761230 0.74 1011.4171140 0.54 1020.0024410 11.66 1020.6589360 6.16 1043.6606450 0.15 1048.6389160 1.42 1057.9860840 42.88 1058.7103270 0.93 1063.5388180 0.23 1064.3088380 1.69 1066.4450680 0.87 1070.3698730 0.28 1075.7733150 0.85 1076.9727780 30.43 1077.9061280 1.08 1078.7174070 0.28 1082.7246090 1.23 1084.8732910 0.52 1090.8031010 1.08 1091.9238280 0.21 1093.5710450 4.52 1094.6967770 1.23 1128.3255620 1.70 1133.7797850 0.33 1134.6345210 0.39 1137.6467290 71.93 1138.7307130 1.82 1142.2130130 0.67 1143.6258540 31.07 1144.6735840 2.38 1148.9217530 1.68 1158.6484380 0.75 1161.2239990 0.94 1162.6079100 0.12 1163.6977540 0.08 1164.7661130 0.55 1166.8564450 6.30 1172.5754390 59.13 1173.2056880 13.07 1173.9056400 0.75 1180.8736570 5.25 1181.7207030 0.99 1182.6593020 0.41 1184.4504390 3.46 1185.5224610 0.33 1190.3398440 37.23 1191.0718990 1.89 1194.7943120 0.54 1196.4268800 36.61 1197.0960690 1.86 1200.9702150 0.65 1219.6925050 1.47 1220.7945560 0.61 1228.3864750 0.86 1231.2054440 1.72 1233.7359620 10.78 1234.4504390 6.16 1235.3388670 0.75 1235.9769290 0.37 1237.7985840 4.52 1238.6250000 2.01 1239.9160160 51.85 1240.7429200 0.66 1241.7470700 0.10 1246.2275390 1.07 1252.0982670 0.07 1276.7231450 3.83 1282.8218990 100.00 1283.7233890 2.08 1284.3446040 0.05 1286.9088130 0.12 1288.0610350 0.62 1294.7187500 0.15 1298.5408940 0.24 1314.7232670 0.31 1319.2864990 1.34 1322.2281490 0.61 1327.0140380 0.11 1330.3511960 0.46 1331.8636470 41.02 1332.8592530 1.30 1333.6683350 0.96 1334.8555910 1.33 1340.0574950 0.63 1343.1633300 0.36 1348.4359130 0.44 1350.8811040 0.54 1352.1188960 1.48 1360.0688480 2.40 1366.6221920 0.10 1368.8061520 3.97 1369.4600830 68.89 1370.1582030 6.90 1371.6530760 0.16 1373.9772950 0.15 1378.1658940 0.52 1380.8149410 0.31 1382.1370850 0.29 1382.8533940 1.29 1384.5181880 0.64 1402.7796630 0.84 1405.5928960 0.34 1406.2796630 1.58 1412.2012940 71.89 1413.3596190 1.93 1435.6063230 0.42 1442.5515140 0.32 1456.1064450 0.46 1479.0042720 0.37 1498.5352780 0.15 1499.1760250 0.43 1505.1922610 0.25 1515.9597170 0.12 1529.3586430 0.90 1530.0567630 0.98 1558.8885500 0.74 1571.9433590 0.48 1579.9896240 0.88 1581.7839360 0.18 1614.3225100 1.33 1623.0413820 0.97 1639.3675540 0.38 1640.0761720 0.34 1645.3558350 1.10 1646.1250000 0.13 1647.9010010 0.26 1649.5350340 0.19 1715.5821530 0.50 1744.8029790 0.44 1768.8499760 0.51 1771.9063720 0.29 1901.6325680 0.70 1924.2244870 0.42 1925.2274170 0.42 1942.2735600 0.46 1979.7146000 0.26 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 793.4384 Annotation 3-O-alpha-L-arabinopyranosylserjanic acid 28-O-beta-D-glucopyranosyl ester Peak:m/z Relative Intensity 277.2107544 0.05 453.5292358 0.07 455.4943848 1.23 458.4784546 0.14 462.0854492 0.13 463.2553101 0.04 469.6848145 0.16 471.7570801 0.20 497.6279907 0.59 509.6317749 0.49 511.3272095 0.05 523.5141602 0.07 537.6322632 0.05 539.4791870 0.02 553.7489014 0.06 555.5845337 1.10 569.5193481 10.73 570.1743164 0.01 571.4884644 0.64 583.2628784 0.05 587.5975342 1.45 593.8753052 0.04 611.6011353 0.03 613.5380249 13.49 627.1699219 0.15 629.3374634 0.65 630.4762573 3.19 631.5007324 100.00 632.1915894 0.12 633.6228027 0.03 645.5143433 0.12 655.4375610 0.90 664.4772339 0.15 673.5269165 6.48 686.9043579 0.04 703.5942993 0.16 705.4781494 0.27 709.7332153 0.04 715.3480225 0.17 729.3231812 0.02 733.5629272 0.72 746.2100220 0.08 747.6905518 0.11 748.6356812 0.26 749.6611328 0.14 757.7417603 0.07 760.7824097 0.08 761.6987305 0.04 774.5469360 0.03 775.7503052 0.12 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 681.1302 Annotation Delphinidin 3-(6''-malonylsambubioside) Peak:m/z Relative Intensity 193.4023590 0.01 195.6209259 0.01 245.1995087 0.02 255.2582703 0.01 260.2471008 0.04 266.0830994 0.03 267.0858765 0.03 268.0029297 0.01 280.2227478 0.01 291.2302856 0.02 306.1567383 0.01 307.1124878 0.02 310.0682373 0.02 324.7379456 0.03 327.1244507 0.02 338.4391174 0.01 343.1584473 0.56 357.1160889 0.06 373.5274048 0.03 378.4206543 0.00 383.4381104 0.01 384.2324219 0.01 388.3349609 0.02 389.4576416 0.01 398.9156494 0.02 403.9868164 0.03 407.0435181 0.01 419.3725586 0.01 431.3330688 0.02 438.1476440 0.01 453.3144531 0.03 457.5078125 0.01 461.9420776 0.01 480.2962036 0.01 482.3269043 0.01 484.4145508 0.01 485.4964600 0.02 487.3820801 0.03 488.6439819 0.01 489.5714111 0.07 490.2523804 0.25 491.1099243 0.06 499.4784546 0.01 500.5520630 0.08 501.4105835 0.02 502.5819092 0.01 503.3663330 0.17 505.1763306 100.00 506.1430664 0.01 511.3462524 0.03 513.2119141 0.01 518.5915527 0.04 519.2783813 0.30 534.7651978 0.02 539.4894409 0.01 542.2552490 0.01 547.1166382 0.12 553.3630981 0.02 563.3164062 0.01 565.2802124 0.02 574.4682617 0.02 575.4913940 0.01 577.2182007 0.08 582.5620117 0.02 591.3894653 0.05 594.6641235 0.02 599.5371704 0.02 600.4500122 0.05 601.2849731 0.02 603.9738159 0.03 607.2597656 0.03 608.2620239 0.01 617.1636353 0.02 618.2480469 0.01 619.2683105 0.06 621.3447266 0.03 634.7990723 0.02 636.8120728 0.01 637.5653687 0.04 642.5253296 0.02 643.7682495 0.03 645.0224609 0.03 645.8249512 0.02 648.1148682 0.08 649.1989136 0.04 651.8330078 0.03 662.0541382 0.16 662.8656616 0.04 663.4692993 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 672.4075 Annotation Unknow Peak:m/z Relative Intensity 195.2985382 0.09 221.1517029 0.05 223.2466736 0.09 239.1848297 0.37 243.1686249 0.15 251.7609863 0.07 256.0001221 0.07 257.4047852 0.05 259.1010742 0.03 262.5180359 0.01 264.9722290 0.16 267.2091064 0.03 272.2597046 0.03 282.1923218 0.12 283.2805481 0.19 287.3510742 0.18 288.0737305 0.03 293.3422546 0.03 300.1743774 0.48 308.9907837 0.16 311.5016785 0.03 313.2196655 0.02 315.9392700 0.30 318.6853638 0.03 326.7512817 0.11 327.3557434 0.21 328.3628540 0.05 331.2742310 0.40 333.4266968 0.04 334.4706116 0.08 336.4924927 0.10 344.1460571 0.33 345.4908447 0.11 346.9601440 0.31 347.6790771 0.01 349.3185425 0.03 351.1493530 0.16 353.1766968 0.10 357.3114624 0.15 359.6411133 0.20 366.4147949 0.08 368.6153564 0.06 371.4442139 0.27 372.1904907 0.02 375.1861572 0.25 376.9611816 0.02 386.0305786 0.05 388.4425659 0.18 390.4626465 0.12 391.2616577 0.06 395.0000000 0.05 396.5784912 0.05 397.3390503 0.11 400.5209961 0.05 402.7617188 0.04 404.2177734 0.14 408.4390259 0.03 412.8587646 0.17 415.3326416 0.18 419.3300171 0.20 426.3615112 0.10 432.4668579 0.54 433.7532959 0.38 434.7664185 0.48 438.8867188 0.02 440.7196045 0.02 447.5911255 0.08 455.0761719 0.06 456.9360962 0.41 457.6303711 0.06 458.2864990 0.08 459.5885620 0.12 461.5448608 0.10 463.6146240 0.03 465.2695312 0.05 467.4808350 0.04 470.3128662 0.33 474.2059937 0.08 476.3436279 0.20 477.9285889 0.10 478.8710327 0.39 480.4968262 0.04 483.0435181 0.06 490.2835083 0.10 491.8164673 0.29 492.7390747 0.14 494.9716187 0.03 495.7231445 0.08 500.8176880 1.37 503.3998413 0.29 504.3665771 0.03 505.2373657 0.04 507.3301392 0.17 508.2166138 0.05 510.1557617 0.02 512.9213257 0.10 514.0865479 0.11 514.8893433 0.11 516.3117676 0.02 517.8767090 0.01 520.5014038 0.30 521.2013550 0.07 522.1632080 0.09 522.8600464 0.50 525.0498657 0.03 527.1898804 0.07 529.6312256 0.03 533.4463501 0.04 535.7433472 0.11 536.5775146 0.32 537.2738037 0.09 543.6104126 0.38 544.9176025 1.80 548.5119019 0.07 549.4968872 0.21 551.3504639 0.18 553.6013794 0.16 558.0864868 0.47 558.8202515 0.26 562.7687378 0.03 564.4916992 0.29 565.8045044 0.08 566.8419800 1.46 567.4921265 0.13 568.3681641 0.06 571.3519897 0.05 574.8223267 0.11 575.8037720 0.25 577.0838623 0.08 579.3102417 0.13 580.2579346 0.73 582.1838379 0.21 587.6370239 0.15 588.8049316 2.14 589.6983032 0.28 591.0773926 0.14 591.9827271 0.10 593.3365479 0.05 596.1143799 0.12 598.1449585 0.44 602.0636597 0.85 602.7008667 0.60 608.1800537 0.12 611.0370483 3.74 611.9741821 0.54 613.4093018 0.04 614.5629272 0.02 615.3297119 0.11 619.9450073 1.60 620.7935181 0.04 621.6952515 0.03 623.3030396 0.23 624.4835815 0.27 629.0191040 0.05 633.2657471 3.05 633.9779053 0.51 636.3025513 0.20 637.3586426 0.22 639.6790161 0.08 640.4118652 0.05 641.8440552 4.26 642.5175171 0.48 645.6218262 0.22 646.2967529 0.71 646.9627075 0.42 648.4114380 0.03 655.4114990 100.00 656.5249634 0.44 657.3582153 0.03 658.2038574 0.03 658.9384155 0.07 663.7644653 0.32 664.5784302 0.04 681.1583862 0.08 692.8815918 0.01 699.3106079 0.07 718.9864502 0.06 734.0993042 0.14 736.2756958 0.15 745.5543823 0.04 763.6198730 0.02 778.5957642 0.04 780.1838989 0.06 782.7545776 0.03 805.0930176 0.09 809.5638428 0.06 821.9108276 0.09 824.0305786 0.04 829.0733032 0.08 849.3892212 0.11 851.4290161 0.03 852.5547485 0.04 853.3547974 0.05 868.8341675 0.03 869.8773804 0.04 895.3369751 0.06 912.2739258 0.06 913.4804077 0.21 926.8560181 0.11 930.6352539 0.18 936.7185669 0.16 937.5026855 0.02 939.3674927 0.11 940.6262207 0.09 951.4417114 0.04 956.9378052 0.24 957.9501343 0.20 965.3171387 0.18 974.4687500 0.18 983.3506470 0.21 1000.4650270 0.20 1001.5053100 0.15 1009.4592290 0.02 1011.0221560 0.02 1018.3872680 0.33 1019.0643920 0.17 1019.7680050 0.10 1027.6134030 0.06 1028.3215330 0.02 1045.3032230 0.44 1045.9426270 0.11 1046.8787840 0.05 1055.5115970 0.04 1062.5473630 1.19 1063.4559330 0.32 1064.2573240 0.06 1071.4688720 0.13 1072.3198240 0.08 1086.6856690 0.04 1088.6237790 0.66 1089.6738280 0.42 1090.5565190 0.03 1106.4948730 0.85 1115.1032710 0.08 1132.7681880 0.35 1133.7155760 0.31 1134.4851070 0.09 1150.4468990 1.46 1151.6894530 0.30 1177.8397220 0.03 1181.9857180 0.02 1194.3404540 0.63 1195.9158940 0.19 1223.2978520 0.05 1306.0139160 0.01 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 251.0712 Annotation Deoxyinosine Peak:m/z Relative Intensity 110.0094604 0.19 116.834137 0.67 124.3900909 0.34 135.9678497 0.39 142.2068787 0.16 149.0378113 0.56 154.8666077 0.34 161.9259338 0.16 169.1245117 0.22 170.1360016 0.79 179.1171722 0.78 180.0810699 0.88 180.8135529 0.84 182.0434113 1.11 192.9260864 0.32 194.1117401 0.95 196.1891022 0.22 206.1447296 3.10 207.0698853 10.68 208.09758 21.11 209.0001221 6.70 210.0369415 3.06 215.7443237 2.23 221.0881653 0.55 222.2944641 2.39 223.2925873 8.39 224.1153717 7.63 233.2492523 1.30 234.0584717 0.29 236.0812378 0.38 248.8804474 0.48 251.0797729 85.68 252.0881958 100.00 253.0529633 5.00 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 727.2612 Annotation Unknow Peak:m/z Relative Intensity 340.0918274 0.02 342.9771118 0.17 343.9534912 0.10 345.3482666 0.01 362.0209961 0.02 365.0787964 0.10 367.4765625 0.12 375.5707397 0.08 399.2727661 0.02 403.3857422 0.08 434.3511353 0.04 456.9775391 0.03 457.6337280 0.04 473.6021118 0.13 519.4844971 0.20 525.9706421 0.03 529.2289429 0.02 533.0230713 0.02 553.3620605 0.07 554.0775146 0.02 562.3895874 0.05 565.5709839 0.19 571.9818726 0.06 607.4441528 0.03 622.5863647 0.08 629.5056152 0.07 630.6369019 0.06 641.5941772 0.09 651.2779541 2.93 652.3975830 0.27 654.0424194 0.04 657.5817261 0.02 671.6223755 0.04 674.5783691 0.05 683.2477417 100.00 684.2182617 3.75 684.8425903 0.03 691.1436157 0.03 694.5361328 0.04 696.3225708 0.09 699.8074951 0.04 708.9534912 0.04 709.5596924 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 488.1619 Annotation Unknow Peak:m/z Relative Intensity 144.9032440 2.75 146.0418854 100.00 161.0543213 0.13 178.4425354 0.38 179.0588074 0.20 341.2546387 3.29 342.3378296 0.27 348.8611450 0.10 398.9147034 0.12 443.3416443 0.20 470.1654968 0.30 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 709.3423 Annotation Scillipheosidin 3-[glucosyl-(1->2)-rhamnoside] Peak:m/z Relative Intensity 199.2700195 0.09 205.8332825 0.26 206.7541656 0.09 213.0299683 0.18 219.3124695 0.17 221.0859985 0.25 223.2018738 0.44 225.1128998 0.36 230.9315796 0.21 233.4335632 0.15 235.2612915 0.47 237.1351318 0.15 239.2496033 0.12 241.4116974 0.05 247.1967010 0.17 248.7214966 0.16 251.3067627 0.14 253.3829041 0.48 255.1477051 0.14 260.2095337 0.06 261.2179260 0.08 263.0988464 0.42 265.2396545 0.20 267.3818970 0.28 269.3843384 0.22 275.0157166 0.05 277.1848450 0.10 279.3071289 0.11 281.1508789 0.24 283.2716980 0.57 285.2498169 0.19 289.5796814 0.34 291.2297668 0.37 293.1596680 0.35 295.3346558 0.17 297.2262878 0.23 299.1665955 1.33 299.8933716 0.09 301.3250122 6.88 303.3440552 1.01 304.1336060 0.10 305.3668518 0.29 306.3432922 0.22 311.1193237 0.21 313.1461487 0.05 315.1896362 0.17 316.0776978 0.05 317.4041138 0.08 319.3054199 0.09 320.3085938 0.19 321.2778931 0.51 323.3445435 0.60 327.4015503 0.16 329.2564087 2.77 331.2048950 0.43 333.2508545 0.90 335.2796326 0.11 337.3187256 0.26 338.4317017 0.35 339.1409302 0.54 341.4018555 1.05 343.4393921 0.12 344.3075562 0.07 345.3067017 0.19 347.1829529 0.10 349.4594116 0.58 351.4672852 0.10 353.7101440 0.12 355.3236694 2.22 356.4979858 0.27 357.1979980 3.75 361.3524170 0.22 363.2838135 0.23 365.4304199 0.28 367.3909302 0.31 368.1992798 0.06 371.3334961 0.38 373.3194580 2.52 374.2819824 0.06 375.4058228 2.77 379.4232178 0.24 381.3173828 0.36 383.3506470 1.20 385.1736450 0.11 387.5036621 0.23 389.3673096 2.99 394.1916504 0.11 395.5150146 0.11 397.4000244 0.10 407.4074707 9.01 419.4721069 0.65 425.3175049 37.19 425.9723511 0.06 428.0123901 0.22 443.3132935 100.00 443.9251709 0.26 448.5851440 0.23 449.4202881 0.04 451.0059814 0.08 461.3436890 9.97 476.4231567 0.05 477.3056030 0.11 479.3962402 0.42 485.9120483 0.33 496.9856567 0.09 503.4184570 0.13 508.7775879 0.10 511.9050293 0.20 513.3415527 0.10 515.4188843 0.04 527.3356323 0.18 528.3258667 0.21 533.1397095 0.37 536.0610962 0.08 543.3244629 0.21 544.1038208 0.21 546.2563477 0.15 547.3543091 0.25 549.1539307 0.04 551.3389893 0.29 552.3306274 0.18 557.6725464 0.20 559.3264160 0.76 561.5302124 0.16 569.2192993 0.19 571.4683228 0.05 575.2980957 0.07 577.2149048 0.27 585.3836060 0.05 587.4037476 0.54 591.5657959 0.03 593.5716553 0.05 603.4456787 0.09 604.5277100 0.18 605.3125610 1.74 608.1933594 0.04 611.5547485 0.80 619.4552612 0.17 621.2724609 0.16 622.9791870 0.59 623.7910767 0.04 628.7357788 0.43 629.4154053 2.55 637.4070435 0.63 641.4691772 0.06 647.1510620 1.54 648.9519043 0.17 655.1128540 1.12 655.7362671 0.87 658.9777832 0.14 662.9738159 0.24 673.3383179 8.21 677.3739624 0.10 691.2376709 70.36 692.2053833 0.24 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 339.06 Annotation 7-Hydroxycymopochromenol Peak:m/z Relative Intensity 96.7834778 0.32 98.8212357 0.09 102.9674606 0.11 112.9621353 15.97 114.0331573 6.12 115.0001602 2.97 116.9945831 0.08 119.0327988 1.40 120.0055923 0.31 126.9957428 1.04 128.8842773 0.58 130.0122070 0.28 131.0227203 3.00 131.8567963 0.65 132.9325562 1.03 162.9530640 4.82 164.0475159 2.72 165.0710449 2.97 167.8960571 0.55 174.0045471 0.66 174.8907471 0.49 179.2281036 0.36 190.9526367 28.18 192.0870361 17.93 193.0682983 24.79 197.2318420 0.29 203.0941772 0.11 231.2774353 0.07 235.0951843 0.10 237.1526489 0.14 264.5089722 0.06 277.0091553 24.14 278.1148682 63.75 279.0383301 100.00 292.4317017 0.35 307.3616028 0.14 308.0545349 0.91 309.2382202 0.12 311.3093567 0.79 324.2131348 15.20 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 660.2811 Annotation Unknow Peak:m/z Relative Intensity 273.1310425 0.02 404.3905640 0.09 454.7362671 0.02 505.3485107 0.09 524.4271240 0.02 541.6776733 0.09 561.7556763 0.07 571.5961304 0.21 607.5297241 0.40 608.5464478 0.06 612.7642822 0.01 613.4851685 0.01 616.7290039 1.55 617.4616699 0.08 629.3937378 0.02 637.5850220 100.00 638.4459229 2.17 639.4326782 0.33 640.2052612 0.26 641.7450562 0.09 643.2700806 0.14 645.8626709 0.02 646.7611084 0.06 648.7706299 0.04 692.9758301 0.03 809.3668213 0.10 810.4826050 0.12 811.1010132 0.02 852.6332397 0.02 938.6289062 0.07 941.7243042 0.09 980.3833618 0.02 1070.1080320 0.01 1083.7937010 0.03 1126.6170650 0.03 1215.4207760 0.17 1216.3961180 0.42 1217.6778560 0.02 1275.4907230 0.06 1276.5773930 0.06 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 476.2761 Annotation LysoPE(0:0/18:3(9Z,12Z,15Z)) Peak:m/z Relative Intensity 139.1005859 0.04 149.2575531 0.18 151.7449493 0.06 154.9808350 0.46 156.8186035 0.07 159.1052551 0.16 161.1817322 0.48 163.1885986 0.05 172.9926300 0.25 181.0790710 0.06 187.2045441 0.34 193.3663330 0.09 197.1318970 0.07 198.0114288 0.06 200.0622253 0.45 201.1259308 0.08 215.0376892 0.19 215.8876038 0.16 221.0796356 0.09 223.2323303 0.11 224.2265320 0.17 226.2726440 0.25 227.1923828 0.35 229.0278778 0.21 232.7348022 0.16 239.0034332 0.16 241.2751465 0.30 243.2356110 1.40 244.9792480 0.05 251.2460938 0.05 254.5133667 0.26 261.3229370 4.51 265.3129883 0.47 269.4111633 0.08 274.9674683 0.10 281.1940918 0.05 282.5602722 0.59 293.2041931 0.19 295.4345093 0.17 304.4010010 0.62 312.9721985 0.48 314.3229370 0.11 317.3288879 1.08 326.2710571 0.11 332.9002686 0.31 335.3866882 59.34 336.3415222 0.05 341.3652344 0.56 344.8449707 0.05 355.3176880 0.05 359.3900452 0.11 372.5664368 0.14 378.4380188 0.32 379.4229431 0.22 380.1892700 0.28 380.8464661 0.23 386.8580933 0.08 395.2945251 0.76 396.9556885 0.11 398.4690247 0.33 401.3799133 0.12 404.3116150 0.16 406.7716980 0.06 412.7761536 0.07 413.5326843 0.11 415.2980957 6.65 417.4454651 0.13 423.2609558 0.06 426.2928162 0.19 428.2902832 0.04 429.6179504 0.55 430.4614563 0.15 433.1860962 1.42 434.3179932 0.18 438.9048157 0.07 440.5367126 0.74 446.6336365 0.20 447.3418884 1.80 448.3550720 0.83 458.1851501 100.00 459.2862854 4.71 460.4924316 0.21 466.9277649 0.69 475.6137390 0.45 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 403.0913 Annotation Zopiclone N-oxide Peak:m/z Relative Intensity 116.9507065 0.04 119.0386963 0.10 120.9993591 0.09 122.9081573 0.10 124.8640137 0.12 131.0152588 0.09 131.9681244 0.03 136.8698273 0.10 138.9782715 0.10 142.7238464 0.18 145.1008606 0.14 147.9305573 0.04 151.2512817 0.05 153.1205444 0.04 154.8975677 0.04 158.9130402 0.04 161.0945892 1.63 163.0821686 1.49 167.0622101 0.14 169.0679016 0.07 175.1128235 0.07 179.1141052 0.27 180.1162720 0.09 181.1822510 0.41 197.1459351 0.02 198.2046814 0.14 201.2592468 0.25 204.1388550 0.04 205.5539246 0.11 217.3125916 0.15 221.2345734 0.04 222.1973419 0.15 223.1496735 0.49 235.1303101 1.47 241.1142273 28.71 245.2017517 0.10 246.0809021 0.06 249.1820374 0.08 257.1061707 0.06 259.0465088 9.10 267.1143799 0.02 277.2243958 0.22 280.2004395 0.05 282.1717529 0.06 283.3666382 0.13 296.2619324 0.16 305.1865845 1.38 317.1169128 0.29 321.2217407 0.05 323.2059937 100.00 324.2398071 0.33 325.0627136 0.11 328.5566101 0.16 331.5817566 0.05 336.0494385 0.12 339.6735840 0.08 341.2705994 12.48 343.1963501 1.40 344.0547485 0.22 344.8361206 0.04 346.2628479 0.03 354.6333008 0.08 357.2264709 3.80 358.3926392 0.07 359.4258118 0.18 361.2149353 1.34 363.3844299 0.09 367.3042297 0.48 373.3667297 0.13 374.5257263 0.09 375.6783752 0.05 379.1192627 0.05 385.2078247 46.73 386.2770081 0.03 387.9923706 0.08 402.9840698 0.17 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 599.408 Annotation Isomytiloxanthin Peak:m/z Relative Intensity 168.9752045 0.67 170.1342163 0.59 171.0902405 0.74 173.1535950 1.06 175.3519287 0.37 177.2034149 0.57 178.0254364 0.13 179.1748657 1.09 181.0574951 3.05 181.9115906 0.35 183.1306000 2.21 185.0935974 3.31 187.1236115 1.24 189.0407410 2.22 190.1708374 0.05 191.0403137 1.41 193.2062683 1.10 194.4155273 1.44 195.2261963 1.37 196.8937073 4.02 197.5208740 0.14 199.1471405 1.36 201.1124420 0.23 203.1997681 12.00 205.1384888 0.47 207.0340881 4.20 209.1777802 3.20 211.1326904 3.03 212.5284271 0.21 213.2084351 0.74 215.1018219 0.79 216.2153168 0.26 217.2817383 0.55 218.2885742 0.40 219.3962708 0.17 221.0834045 100.00 222.2488708 0.66 223.2702026 0.58 225.2587433 1.60 227.1277924 0.81 229.0635071 1.28 231.4199219 0.32 232.1698914 0.13 233.2424316 2.99 234.1719818 0.56 235.2578125 1.90 236.1776123 0.49 237.2529907 0.93 239.3864746 1.21 240.3745117 0.16 241.2198334 0.70 243.0419922 0.16 245.0358429 1.09 247.1961060 7.87 248.2408752 0.24 249.2301636 1.19 251.1942596 2.04 253.0464935 1.37 255.3795624 1.43 257.3190918 0.19 259.2959595 0.88 260.2537231 0.06 261.2438965 4.89 263.1047058 2.65 264.2488098 0.33 265.2827759 2.36 267.4481201 1.78 268.0947571 0.10 269.0844421 0.65 270.2282410 0.31 271.2411194 1.40 272.3240967 0.56 273.2326050 2.51 274.2200317 0.08 275.3791199 1.79 277.2222900 0.43 278.1439819 0.31 278.9985962 0.50 281.3069153 3.76 283.2470398 0.80 284.3040161 0.05 285.2939758 0.91 286.9900513 4.11 287.6905518 0.15 289.3459473 1.69 291.2825012 1.78 293.2665405 1.57 294.3541565 0.28 295.1431885 1.49 297.1414795 0.31 299.2814026 13.10 301.2865295 3.46 303.3850098 1.07 305.3956909 0.35 307.2360229 1.20 309.2247925 2.33 311.1402588 3.41 312.2568970 0.35 313.3607788 4.62 314.3521118 0.71 315.3107910 1.22 316.5073242 0.95 317.1860352 2.14 319.4306641 0.12 321.3627930 0.65 323.0678101 1.01 325.2554321 2.15 326.1436768 0.39 327.4212036 2.03 329.3850708 0.60 330.1011963 0.24 331.4184570 0.06 333.2666626 0.61 335.2052612 1.65 337.2985840 0.64 339.0720825 1.05 340.2656250 0.49 341.3579102 1.11 343.4587402 0.86 345.2956543 1.36 347.3643188 3.46 349.1854248 0.46 351.3901367 0.69 352.4829102 0.11 353.2786865 0.47 355.3509521 2.36 356.6989746 0.17 357.4038086 0.67 359.2678833 2.72 361.2551880 0.67 363.3779907 3.21 364.2860718 2.73 365.3751831 5.51 366.3054810 0.27 367.4800415 0.28 369.2642212 0.50 371.3270874 1.48 373.3663940 4.99 375.1817627 0.25 376.3477783 0.90 377.4824219 0.60 381.3380127 0.34 383.3354492 1.83 384.5253906 0.21 385.3285522 0.60 386.3435669 0.52 387.3641968 2.54 388.4970703 0.25 389.3282471 2.25 391.3045654 34.39 394.6598511 0.28 395.5304565 0.90 396.3410645 0.06 397.6660156 0.28 399.4807739 1.47 401.2374878 5.03 401.8484497 0.35 403.2595825 0.99 405.3312378 0.90 407.2307739 0.97 409.2921753 0.71 410.3551636 0.15 411.3775635 0.32 413.2238159 2.12 413.8532104 0.07 415.5950317 1.78 417.2916870 1.29 419.3571167 15.78 421.4155273 0.11 422.4342041 0.21 423.4334717 1.24 425.3859253 3.12 427.4976196 15.23 428.4489136 0.06 429.3439941 0.23 433.4237671 0.32 435.5200806 0.19 436.2609863 0.38 437.4060669 0.19 439.4156494 0.28 441.0402832 2.76 441.6712646 3.28 442.9389038 0.19 443.5784302 0.90 445.3054199 1.47 446.6528320 0.33 447.5002441 0.20 449.4674683 0.44 451.4414062 0.71 453.5377808 3.87 455.3001099 0.84 457.3082275 0.54 459.3155518 1.15 461.6085815 0.39 462.5796509 0.10 463.6076050 0.53 467.4046021 1.11 469.2690430 0.40 471.5462036 0.44 473.2632446 0.28 475.4401245 0.10 479.4745483 0.87 480.4009399 0.26 481.5257568 0.24 483.2879639 1.10 487.3143921 0.89 489.3474731 0.57 491.4479980 0.62 493.6098633 1.59 495.2572021 0.09 497.1599121 0.23 499.6498413 0.41 501.5200806 0.13 503.5838013 0.41 505.4863892 1.49 507.3852539 48.48 508.0291138 0.23 509.5861206 0.14 513.3911743 0.14 515.2383423 0.25 519.5374146 3.17 520.6840210 0.12 521.3997192 0.30 523.1074829 0.13 525.4342651 3.39 527.3887939 0.27 535.7222290 0.34 539.1935425 0.97 539.8376465 0.11 541.5092163 0.31 542.1282959 0.08 543.2643433 5.88 544.4926147 0.75 545.5635986 1.94 553.4439087 0.26 554.4223022 0.18 563.4794922 6.28 566.9637451 0.08 571.5753174 0.73 580.8875122 2.58 581.4891968 41.58 582.5579224 0.37 584.8294678 0.09 599.4868164 0.22 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 253.0853 Annotation 7-Methoxyflavone Peak:m/z Relative Intensity 77.94023895 0.54 79.91719055 0.53 95.67788696 0.24 102.9954224 0.44 104.1099243 0.60 105.0007935 0.16 105.7377319 0.87 107.09758 1.02 118.7779236 0.33 120.1195221 0.34 121.053421 1.83 124.2092743 0.26 128.9570465 5.55 129.9657593 7.06 147.6572571 1.19 150.956955 50.39 152.0015564 34.98 153.0176086 0.84 154.9532776 2.43 155.9206696 0.76 158.1346283 1.03 164.9298859 0.70 167.4784088 1.18 168.1087799 0.59 170.1996307 1.79 171.0590973 1.55 171.9972992 0.40 176.0886688 1.14 177.2532196 0.61 179.1490479 1.47 180.0257721 1.35 181.9756165 0.92 183.0610962 3.41 183.9928741 2.63 185.2760773 0.33 186.1143341 1.72 190.7181244 0.20 191.9439545 0.14 197.305069 1.06 198.0511169 1.83 208.3323822 1.25 209.9664917 0.43 212.007309 0.14 217.9551239 1.43 225.3852234 1.87 226.2198486 5.13 236.1576996 2.23 236.8549805 0.61 238.1341705 2.47 239.1180267 4.25 240.1844482 2.81 251.4537506 1.03 253.0919952 100.00 254.1516113 77.10 255.1090851 1.80 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 1305.5454 Annotation Unknow Peak:m/z Relative Intensity 439.1984253 0.03 455.6759949 0.18 501.6811829 0.04 502.7622986 0.03 523.5084229 0.04 544.4958496 0.03 581.6501465 0.07 585.2120361 0.08 628.8139648 0.05 677.5541992 0.01 689.6618652 0.09 809.6096191 0.04 836.7208252 0.14 865.4138184 0.04 891.4444580 0.05 893.5465088 0.05 909.0910645 0.15 925.9239502 0.15 951.2806396 0.16 952.5515137 0.08 955.7559814 0.20 969.5788574 0.05 979.7247314 0.78 980.8092041 0.22 991.9700928 0.09 997.5701904 12.23 998.6943359 3.95 1025.3811040 0.25 1037.4143070 0.04 1039.7701420 0.02 1053.7519530 0.04 1111.7337650 0.15 1127.5046390 0.02 1129.6064450 0.06 1141.3562010 0.13 1142.7653810 0.03 1143.7749020 0.02 1145.9556880 0.03 1146.6851810 0.07 1155.2702640 0.17 1157.3391110 0.25 1173.4991460 100.00 1174.4670410 6.67 1175.5157470 0.51 1176.4003910 0.21 1177.2834470 0.54 1185.5810550 2.13 1186.8222660 0.02 1201.5375980 0.22 1202.6604000 0.14 1203.5808110 0.06 1211.0645750 0.03 1229.5041500 23.92 1230.5468750 1.74 1231.3331300 0.17 1243.4382320 0.23 1255.6383060 0.03 1261.2780760 0.14 1262.0842290 0.12 1287.4376220 3.63 1288.3406980 0.16 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 548.77 Annotation Unknow Peak:m/z Relative Intensity 212.8450317 1.36 296.8425903 15.25 323.0999146 1.12 365.0842896 0.09 377.9847412 0.11 378.7268677 0.07 380.1229248 8.08 380.7438354 62.12 462.1001587 0.73 464.5288696 100.00 465.4614258 0.07 502.1102295 0.09 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 632.65 Annotation Unknow Peak:m/z Relative Intensity 212.9941711 0.25 216.0514374 0.14 222.9321289 0.02 232.0933990 0.28 291.9117737 0.08 303.0364990 0.08 319.1923828 0.16 321.0053101 0.04 323.6152344 0.03 325.2743835 0.13 353.6690674 0.06 370.9773560 0.21 380.8236084 3.79 386.7788696 0.05 440.1229248 0.45 449.1150513 0.20 453.1931152 0.24 464.6628418 22.42 465.3341064 0.03 470.9533691 0.17 479.5531616 0.11 480.8643799 0.94 488.7584839 0.26 496.7623901 0.04 521.1740112 0.13 546.0656128 0.21 546.7915649 1.40 547.9238892 9.23 548.5491943 100.00 549.2767334 0.41 554.0143433 0.06 563.7890015 0.46 564.7083130 0.83 585.8502808 2.55 586.7578735 0.18 588.7186279 0.45 589.3545532 0.40 590.5557861 2.21 591.2303467 0.08 598.7056274 0.05 609.3809204 0.48 614.6651001 0.27 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode negtive CollisionEnergy NA PrecursorMz 953.94 Annotation Unknow Peak:m/z Relative Intensity 291.2300110 0.24 453.2903442 0.03 455.3260498 0.22 509.8878784 0.12 565.6875000 0.03 569.5487061 3.63 570.1742554 0.04 581.4847412 0.13 583.7645874 0.16 609.7001953 0.35 611.4727783 0.11 613.4586182 1.28 617.1475220 0.12 627.5540161 4.67 631.5011597 6.29 653.5582886 0.38 655.8289795 0.09 669.5895386 0.04 671.3345337 0.54 673.4828491 0.35 685.4565430 0.12 687.4214478 0.05 689.3006592 0.09 699.6155396 0.17 711.7673340 0.37 719.7744751 0.07 731.1190796 0.10 747.4766235 1.57 748.0935669 0.01 775.5795898 1.52 789.5081177 14.83 791.3347168 0.33 793.5056763 80.24 794.1948853 0.28 805.6022949 0.08 807.5731812 0.02 815.7779541 0.06 821.2926636 0.44 833.4685669 7.99 834.1535645 0.08 847.2599487 0.06 849.5390015 1.10 851.4661255 33.15 852.0953979 0.19 863.6895142 0.09 866.1507568 0.10 877.2117310 0.23 877.9053955 0.11 881.6817017 0.64 891.5687866 0.16 893.2105713 0.62 894.3447266 1.17 895.2622681 0.13 909.4255981 100.00 910.1520996 0.87 910.8591919 0.02 935.2770996 0.13 END BEGIN MsLevel MS2 Instrument LTQ-FT (Thermo Fisher Scientific) InstrumentType LC-FTICR-MS IonMode positive CollisionEnergy NA PrecursorMz 298.4614 Annotation Unknow Peak:m/z Relative Intensity 88.7095795 0.10 108.1991959 0.05 118.5802612 0.04 122.0711365 0.05 125.1397705 0.09 127.0541611 0.12 128.2133484 0.05 132.0576019 0.02 135.9413757 0.14 152.9806213 0.90 154.0218353 0.14 155.0211639 0.03 155.9221954 0.03 164.8977356 0.04 179.1761627 0.11 182.0758820 0.14 183.9429321 0.19 184.9507751 0.03 201.0127258 0.59 214.1365356 0.11 235.9106445 0.46 248.0028381 0.17 254.3971863 0.19 259.4333496 0.38 264.1190796 0.03 264.8223572 0.08 268.1423340 0.87 269.1437378 0.26 269.8399658 0.11 271.2948608 0.03 273.3266602 6.42 274.4363403 0.29 276.6734009 0.60 278.9347534 0.10 282.6410522 12.34 283.3799438 3.71 284.3044128 0.78 285.3777466 0.24 286.9505615 0.06 289.2694092 19.01 290.3760986 0.34 291.2395020 0.19 292.0703735 0.03 292.9657898 2.83 293.5902100 0.83 296.5068665 0.03 305.7319946 0.10 309.4009705 0.07 316.2713318 0.02 329.3786621 0.05 332.7555847 0.08 333.3620911 0.16 335.5997009 0.22 341.1198425 0.01 342.8455505 0.04 345.0338745 0.10 347.1939697 6.06 347.7971497 2.59 348.5645752 0.72 349.9981689 0.08 357.0511780 0.40 357.8198547 0.16 358.7286987 0.05 360.6616821 0.07 371.3904114 0.09 376.1949463 0.64 377.1874084 0.16 379.1115417 0.45 380.8938904 1.95 382.0329285 0.35 384.2139587 0.07 387.8800964 2.59 389.0280151 0.94 389.8751831 0.86 392.2216492 0.15 395.8335876 0.04 398.0181580 2.59 399.2572632 0.30 402.1756897 0.38 403.4559021 2.67 404.5128784 0.28 408.9416809 0.15 411.9289856 100.00 412.8252563 9.60 413.4590759 1.96 416.7461243 0.05 417.3818970 0.02 425.9020691 23.60 426.7835083 2.93 427.4238892 0.59 439.1498108 0.61 439.9023132 0.06 449.2728577 0.02 474.2364807 0.11 481.3564148 0.05 537.2738647 0.08 538.3447876 0.02 614.3926392 0.04 628.6550293 0.06 693.4896240 0.02 869.2114868 0.02 END